甲氨蝶呤

甲氨蝶呤 基本信息
CAS号 59-05-2 分子式 C20H22N8O5
分子量 454.44635 精确质量 　454.17132
PSA 　210.54000 LogP 　1.82170
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等价的CAS号：

59-05-2,51865-79-3,60388-53-6
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目录
基本信息 制备方法与用途 物化性质 安全信息 合成路线 化学图谱 毒性 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
59-05-2
3D弹球模型：
立即前往扯扯看
分子式：
C20H22N8O5
分子量：
454.44635
中文名称：
甲氨蝶呤
英文名称：
methotrexate
中文别名：
甲氨蝶呤;
氨甲蝶呤;
对-[(2,4-二氨基喋啶-6)-N-甲基甲氨基]苯甲酰谷氨酸;
氨甲叶酸;
N-[4-[[(2,4-二氨基-6-蝶啶)甲基]甲氨基]苯甲酰]-L-谷氨酸
英文别名：
methotrexate;
Methotrexate;
L-A-methopterin;
R 9985;
X 133;
Mexate;
4-amino-4-deoxy-10-methylpteroyl-L-glutamic acid;
MTX;
Hdmtx
精确分子量/精确质量：
454.17132
极性分子表面积/PSA：
210.54000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
贝尔斯坦号/MDL：
MFCD00064370
EINECS：
200-413-8
PubChem：
24897373
BRN：
70669
InChI：
InChI=1/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m1/s1

生产制备方法及用途展开↓

合成制备方法

由2，4，5，6-四氨基嘧啶与二溴丙醛环合后，再与对甲氨基苯甲酰谷氨酸缩合而得。

用途

叶酸拮抗刘。二氢叶酸还原酶的有效抑制剂。免疫抑制剂。组织培养试剂。

该品是较好的抗肿瘤药物，用于急性淋巴白血病、淋巴瘤、恶性葡萄胎、绒癌、鳞状上皮癌、肺癌、宫颈癌、乳腺癌和成骨肉瘤等。甲氨喋呤口服12h后原药90%从尿中排出，主要代谢物为7-羟基甲氨蝶呤。大鼠静脉注射LD50为14mg/kg。

物化性质展开↓

外观与性状：
黄色结晶粉末
密度：
1.536 g/cm3
熔点：
195°C
水溶解性：
Insoluble.
存储条件/存储方法：

密封4℃干燥保存。

其它信息：

1.       性状：黄色结晶。无臭。

2.       密度（g/mL,25/4℃）： 未确定

3.       相对蒸汽密度（g/mL,空气=1）：未确定

4.       熔点（ºC）： 未确定

5.       沸点（ºC,常压）：未确定

6.       沸点（ºC,5.2kPa）：未确定

7.       折射率：未确定

8.       闪点（ºC）： 未确定

9.       比旋光度（º）： 未确定

10.    自燃点或引燃温度（ºC）：未确定

11.    蒸气压（kPa,25ºC）：未确定

12.    饱和蒸气压（kPa,60ºC）： 未确定

13.    燃烧热（KJ/mol）：未确定

14.    临界温度（ºC）：未确定

15.    临界压力（KPa）： 未确定

16.    油水（辛醇/水）分配系数的对数值：

17.    爆炸上限（%,V/V）：未确定

18.    爆炸下限（%,V/V）：未确定

19.    溶解性：易溶于稀碱、酸或碱金属的碳酸盐溶液，微溶于稀盐酸，几乎不溶于水、乙醇、氯仿、乙醚。

安全信息展开↓

包装等级：
III
风险类别：
6.1(b)
海关代码：
2933990090
WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
R61;R25;R36/38
安全说明：
S53-S26-S36/37-S45
RTECS号：
MA1225000
安全标志：
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
S53:避免暴露——使用前先阅读专门的说明。
:
危险标志：
T:Toxic

合成路线查看所有的合成路线

  • 56-86-0

    谷氨酸

  • +

  • 56892-87-6

    4-{[N-[(2,4-diamino-6-pteridinyl)methyl]-N-methyl]amino}benzoyl azide

  • →

    ~99%

  • 59-05-2

    甲氨蝶呤

  • 125507-15-5

    125507-15-5

  • →

  • 59-05-2

    甲氨蝶呤

  • 125507-10-0

    125507-10-0

  • →

  • 59-05-2

    甲氨蝶呤

化学图谱

  1. 甲氨蝶呤红外图谱(IR1)

  2. 甲氨蝶呤红外图谱(IR2)

  3. 甲氨蝶呤质谱(MS)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MA1225000
CHEMICAL NAME :
Glutamic acid, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)b enzoyl)-, L-
CAS REGISTRY NUMBER :
59-05-2
LAST UPDATED :
199806
DATA ITEMS CITED :
143
MOLECULAR FORMULA :
C20-H22-N8-O5
MOLECULAR WEIGHT :
454.50
WISWESSER LINE NOTATION :
T66 BN DN GN JNJ CZ EZ H1N1&R DVMYVQ2VQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Non-standard exposure
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Human
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
4286 ug/kg/2.7Y-I
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - fibrosis, focal (pneumoconiosis) Lungs, Thorax, or Respiration - respiratory obstruction Blood - aplastic anemia
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
2 mg/kg/17W-I
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - other changes Blood - leukopenia
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
643 ug/kg/6W-I
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human
DOSE/DURATION :
43 mg/kg/5Y
TOXIC EFFECTS :
Liver - liver function tests impaired Liver - other changes
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - child
DOSE/DURATION :
2 mg/kg/12D
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - cough Lungs, Thorax, or Respiration - dyspnea Nutritional and Gross Metabolic - body temperature increase
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
800 ug/kg/4D-I
TOXIC EFFECTS :
Blood - leukopenia Blood - thrombocytopenia Blood - oxidant related (GPD deficient) anemia
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
740 mg/kg
TOXIC EFFECTS :
Gastrointestinal - other changes
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Human - child
DOSE/DURATION :
100 mg/kg/4H
TOXIC EFFECTS :
Blood - thrombocytopenia Blood - other changes Biochemical - Metabolism (Intermediary) - effect on inflammation or mediation of inflammation
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Human
DOSE/DURATION :
4650 ug/kg/4W-I
TOXIC EFFECTS :
Liver - fatty liver degeneration Liver - liver function tests impaired
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Human
DOSE/DURATION :
200 mg/kg/5Y
TOXIC EFFECTS :
Liver - hepatitis, fibrous (cirrhosis, post-necrotic scarring)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Human
DOSE/DURATION :
7143 ug/kg
TOXIC EFFECTS :
Gastrointestinal - nausea or vomiting Blood - changes in leukocyte (WBC) count Blood - changes in platelet count
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
2600 ug/kg
TOXIC EFFECTS :
Brain and Coverings - changes in cerebral spinal fluid Lungs, Thorax, or Respiration - fibrosis, focal (pneumoconiosis) Lungs, Thorax, or Respiration - dyspnea
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - effect, not otherwise specified
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraspinal
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
36 mg/kg/15D
TOXIC EFFECTS :
Spinal Cord - other degenerative changes Gastrointestinal - nausea or vomiting Nutritional and Gross Metabolic - body temperature decrease
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
135 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
6 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
58 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
14 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Human
DOSE/DURATION :
35 mg/kg/28W
TOXIC EFFECTS :
Vascular - BP lowering not characterized in autonomic section Lungs, Thorax, or Respiration - dyspnea Lungs, Thorax, or Respiration - cyanosis
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
146 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
65 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
69 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5600 ug/kg/4W-C
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Liver - hepatitis (hepatocellular necrosis), zonal Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4200 ug/kg/6W-C
TOXIC EFFECTS :
Liver - hepatitis (hepatocellular necrosis), zonal
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
41 mg/m3/2W-C
TOXIC EFFECTS :
Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
71500 ug/kg/5D-I
TOXIC EFFECTS :
Liver - changes in liver weight Blood - thrombocytopenia Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
7 mg/kg/12W-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Blood - leukemia
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - child
DOSE/DURATION :
125 mg/kg/6Y-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
51 mg/kg/4Y-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
210 mg/kg/50W-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Endocrine - adrenal cortex tumors Blood - lymphoma, including Hodgkin's disease
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
139 mg/kg/55W-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Blood - lymphoma, including Hodgkin's disease
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
55 mg/kg/78W-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Liver - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
74 mg/kg/48W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Blood - lymphoma, including Hodgkin's disease Skin and Appendages - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
8260 ug/kg/44W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Blood - leukemia
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
250 ug/kg
SEX/DURATION :
female 9 week(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
200 ug/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
5 mg/kg
SEX/DURATION :
female 14-18 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - abortion
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
200 ug/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Specific Developmental Abnormalities - other developmental abnormalities
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
300 ug/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
300 ug/kg
SEX/DURATION :
female 11 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
100 mg/kg
SEX/DURATION :
male 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
DOSE :
500 ug/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
25 mg/kg
SEX/DURATION :
female 8-12 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - live birth index (measured after birth)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
50 mg/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - live birth index (measured after birth) Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4 per # born alive) Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
200 mg/kg
SEX/DURATION :
female 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - oogenesis
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
10 mg/kg
SEX/DURATION :
female 11 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
25 mg/kg
SEX/DURATION :
female 11 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - musculoskeletal system Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
260 mg/kg
SEX/DURATION :
male 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
20 mg/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
50 mg/kg
SEX/DURATION :
female 13 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - cytological changes (including somatic cell genetic material)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
1 mg/kg
SEX/DURATION :
female 20-24 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
2 mg/kg
SEX/DURATION :
female 11-14 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - body wall
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
2 mg/kg
SEX/DURATION :
female 17-20 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - abortion
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
600 ug/kg
SEX/DURATION :
female 10 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - eye/ear Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
600 ug/kg
SEX/DURATION :
female 10 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
9600 ug/kg
SEX/DURATION :
female 10 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
9600 ug/kg
SEX/DURATION :
female 10 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death
TYPE OF TEST :
Specific locus test
TYPE OF TEST :
DNA inhibition
TYPE OF TEST :
DNA inhibition
TYPE OF TEST :
Cytogenetic analysis
TYPE OF TEST :
Cytogenetic analysis
TYPE OF TEST :
Micronucleus test
TYPE OF TEST :
Cytogenetic analysis
TYPE OF TEST :
Micronucleus test
TYPE OF TEST :
DNA damage
TYPE OF TEST :
DNA inhibition
TYPE OF TEST :
DNA inhibition
TYPE OF TEST :
Cytogenetic analysis
TYPE OF TEST :
Cytogenetic analysis
TYPE OF TEST :
Dominant lethal test

MUTATION DATA

TYPE OF TEST :
Cytogenetic analysis
TEST SYSTEM :
Mammal - species unspecified Cells - not otherwise specified
DOSE/DURATION :
1 mmol/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 120,139,1983 *** REVIEWS *** IARC Cancer Review:Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 26,267,1981 IARC Cancer Review:Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 26,267,1981 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,241,1987 TOXICOLOGY REVIEW NEJMAG New England Journal of Medicine. (Massachusetts Medical Soc., 10 Shattuck St., Boston, MA 02115) V.198- 1928- Volume(issue)/page/year: 291,75,1974 TOXICOLOGY REVIEW PLMJAP Pahlavi Medical Journal. (Shiraz, Iran) V.1-9, 1970-78. Volume(issue)/page/year: 6,160,1975 TOXICOLOGY REVIEW MIMDAL Minnesota Medicine. (Minnesota Medical Assoc., 2221 University Ave., SE, Suite 400, Minneapolis, MN 55414) V.1- 1918- Volume(issue)/page/year: 57,19,1974 TOXICOLOGY REVIEW JAMAAP JAMA, Journal of the American Medical Association. (AMA, 535 N. Dearborn St., Chicago, IL 60610) V.1- 1883- Volume(issue)/page/year: 172,1765,1960 TOXICOLOGY REVIEW THORA7 Thorax. (British Medical Assoc., BMA House, Travistock Square, London WC1H 9JR, UK) V.1- 1946- Volume(issue)/page/year: 27,636,1972 TOXICOLOGY REVIEW CRTXB2 CRC Critical Reviews in Toxicology. (CRC Press, Inc., 2000 Corporate Blvd., NW, Boca Raton, FL 33431) V.1- 1971- Volume(issue)/page/year: 2,159,1973 TOXICOLOGY REVIEW MJAUAJ Medical Journal of Australia. (Australasian Medical Pub. Co. Ltd., 71-79 Arundel St., Glebe, N.S.W., Australia) V.1- 1914- Volume(issue)/page/year: 2,1076,1971 TOXICOLOGY REVIEW MEDIAV Medicine. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1922- Volume(issue)/page/year: 55,371,1976 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3716 No. of Facilities: 529 (estimated) No. of Industries: 2 No. of Occupations: 24 No. of Employees: 17193 (estimated) No. of Female Employees: 9496 (estimated)

MSDS 展开↓

    甲氨蝶呤水合物      修改号码：6    
模块 1. 化学品
    产品名称：      Methotrexate Hydrate    
    修改号码：      6    
模块 2. 危险性概述
  GHS分类
    　物理性危害        未分类    
    　健康危害
    急性毒性（经口）      第3级    
  皮肤腐蚀/刺激      第2级    
  严重损伤/刺激眼睛      2A类    
    生殖毒性      1B类    
    特异性靶器官毒性      肝脏, 血液, 骨髓, 骨组织, 肾脏, 肺    
  - 单一接触 [第1级]
    　环境危害        未分类    
  GHS标签元素
    　图标或危害标志
    　信号词        危险    
    　危险描述        吞咽会中毒。    
    造成皮肤刺激
    造成严重眼刺激
    可能损害生育能力或胎儿
    可能因延长或接触对器官产生损害： 肝脏 血液 骨髓 骨组
    织 肾脏 肺
    　防范说明
  [预防]        使用前获取特定手册。    
    处理前必须阅读并理解所有安全措施。
    切勿吸入。
    使用本产品时切勿吃东西，喝水或吸烟。
    处理后要彻底清洗双手。
  穿戴防护手套/护目镜/防护面具。
    甲氨蝶呤水合物      修改号码：6    
模块 2. 危险性概述
  [急救措施]      食入：立即呼叫解毒中心/医生。    
    眼睛接触：用水小心清洗几分钟。如果方便，易操作，摘除隐形眼镜。继续冲洗。
  眼睛接触：求医/就诊
    皮肤接触：用大量肥皂和水轻轻洗。
  若皮肤刺激：求医/就诊。
    脱掉被污染的衣物，清洗后方可重新使用。
  如接触到或相关接触：求医/就诊。
  [储存]        存放处须加锁。    
  [废弃处置]      根据当地政府规定把物品/容器交与工业废弃处理机构。    
模块 3. 成分/组成信息
  单一物质/混和物        单一物质    
  化学名(中文名)：        甲氨蝶呤水合物    
    百分比：      >98.0%(HPLC)(T)    
  CAS编码：      59-05-2    
    俗名：      (+)-Amethopterin Hydrate    
    分子式：
  C20H22N8O5·xH2O
模块 4. 急救措施
    吸入：      将受害者移到新鲜空气处，保持呼吸通畅，休息。求医/就诊。    
    皮肤接触：      立即去除/脱掉所有被污染的衣物。用大量肥皂和水轻轻洗。    
  求医/就诊。
    眼睛接触：        用水小心清洗几分钟。如果方便，易操作，摘除隐形眼镜。    
  求医/就诊。
    食入：      立即呼叫解毒中心/医生。漱口。    
    紧急救助者的防护：        救援者需要穿戴个人防护用品，比如橡胶手套和气密性护目镜。    
模块 5. 消防措施
    合适的灭火剂：        干粉，泡沫，雾状水，二氧化碳    
    特殊危险性：        小心，燃烧或高温下可能分解产生毒烟。    
    特定方法：        从上风处灭火，根据周围环境选择合适的灭火方法。    
    非相关人员应该撤离至安全地方。
    周围一旦着火：如果安全，移去可移动容器。
    消防员的特殊防护用具：        灭火时，一定要穿戴个人防护用品。    
模块 6. 泄漏应急处理
    个人防护措施，防护用具，      使用特殊的个人防护用品（针对有毒颗粒的P3过滤式空气呼吸器）。远离溢出物/泄露    
    紧急措施：        处并处在上风处。    
    泄露区应该用安全带等圈起来，控制非相关人员进入。
    环保措施：        防止进入下水道。    
    控制和清洗的方法和材料：        清扫收集粉尘，封入密闭容器。注意切勿分散。附着物或收集物应该立即根据合适的    
    法律法规处置。
模块 7. 操作处置与储存
    处理
    技术措施：        在通风良好处进行处理。穿戴合适的防护用具。防止粉尘扩散。处理后彻底清洗双手    
    和脸。
    注意事项：        如果可能，使用封闭系统。如果粉尘或浮质产生，使用局部排气。    
    操作处置注意事项：        避免所有部位的接触！    
    甲氨蝶呤水合物      修改号码：6    
模块 7. 操作处置与储存
    贮存
    储存条件：        保持容器密闭。存放于凉爽、阴暗处。    
    存放于惰性气体环境中。
    防湿。
    存放处须加锁。
    远离不相容的材料比如氧化剂存放。
  光敏, 易湿
    包装材料：        依据法律。    
模块 8. 接触控制和个体防护
    工程控制：        尽可能安装封闭体系或局部排风系统。同时安装淋浴器和洗眼器。    
    个人防护用品
    　呼吸系统防护：      防尘面具，自携式呼吸器（SCBA），供气呼吸器等。使用通过政府标准的呼吸器。依    
    据当地和政府法规。
    　手部防护：        防渗手套。    
    　眼睛防护：        护目镜。如果情况需要，佩戴面具。    
    　皮肤和身体防护：        防渗防护服。如果情况需要，穿戴防护靴。    
模块 9. 理化特性
    固体
  外形（20°C）：
    外观：      晶体-粉末    
    颜色：      浅黄色-黄色    
    气味：        无资料    
  pH:        无数据资料    
    熔点：      200°C (分解)    
  沸点/沸程        无资料    
    闪点：        无资料    
    爆炸特性
    　爆炸下限：        无资料    
    　爆炸上限：        无资料    
    密度：        无资料    
    溶解度：
  [水]        不溶于    
  [其他溶剂]
    不溶于：      醚, 酒精, 氯仿    
  log水分配系数 =      -0.86    
模块 10. 稳定性和反应性
    化学稳定性：        一般情况下稳定。    
    危险反应的可能性：        未报道特殊反应性。    
    须避免接触的物质      氧化剂, 强酸    
  危险的分解产物:      一氧化碳, 二氧化碳, 氮氧化物 (NOx)    
模块 11. 毒理学信息
    急性毒性：      orl-rat LD50:135 mg/kg    
  ipr-rat LD50:6 mg/kg
  ivn-rat LD50:14 mg/kg
  scu-rat LD50:58 mg/kg
    对皮肤腐蚀或刺激：        无资料    
    对眼睛严重损害或刺激：      eye-hmn 150 mg rinse    
    甲氨蝶呤水合物      修改号码：6    
模块 11. 毒理学信息
    生殖细胞变异原性：      cyt-wmn-ivn 1 mg/kg    
  dns-hmn-hla 18300 nmol/L
  mmo-mus-lym 1600 ug/L/4H (+S9)
  mmo-sat 20 ug/plate (-S9)
    致癌性：      orl-chd TDLo:125 mg/kg/6Y-I    
  orl-man TDLo:7 mg/kg/12W-C
  IARC =      3 （无法对人类的致癌性进行分类）。    
  NTP =        无资料    
    生殖毒性：      ipr-rat TDLo:5 mg/kg(14-18D preg)    
  orl-mus TDLo:25 mg/kg(8-12D preg)
  orl-wmn TDLo:250 ug/kg(9W preg)
  ivn-rat TDLo:100 mg/kg(1D male)
  RTECS 号码:      MA1225000    
模块 12. 生态学信息
    生态毒性：
    鱼类：        无资料    
    甲壳类：        无资料    
    藻类：        无资料    
  残留性 / 降解性：        无资料    
  潜在生物累积 （BCF):        无资料    
    土壤中移动性
  　log水分配系数：      -0.86    
  　土壤吸收系数 （Koc）：        无资料    
    　亨利定律        无资料    
  constant(PaM3/mol):
模块 13. 废弃处置
    如果可能，回收处理。请咨询当地管理部门。建议在可燃溶剂中溶解混合，在装有后燃和洗涤装置的化学焚烧炉中
    焚烧。废弃处置时请遵守国家、地区和当地的所有法规。
模块 14. 运输信息
    联合国分类：      第1项 毒害品。    
  UN编号：      2811    
    正式运输名称：      有毒固体, 有机物, 不另作详细说明    
    包装等级：      III    
模块 15. 法规信息
  《危险化学品安全管理条例》（2002年1月26日国务院发布，2011年2月16日修订）: 针对危险化学品的安全使用、
    生产、储存、运输、装卸等方面均作了相应的规定。
    甲氨蝶呤水合物      修改号码：6    

模块16 - 其他信息
N/A

海关数据查看详细

中国海关编码：2933990090

概述：
2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素：
品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
摘要/Summary：
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

分子结构与计算化学数据展开↓

分子结构数据

五、分子性质数据：

1、   摩尔折射率：118.97

2、   摩尔体积（m3/mol）：295.6

3、   等张比容（90.2K）：926.7

4、   表面张力（dyne/cm）：96.4

5、   极化率（10-24cm3）：47.16

计算化学数据

1、   计疏水参数计算参考值（XlogP）：-1.8

2、   氢键供体数量：5

3、   氢键受体数量：12

4、   可旋转化学键数量：9

5、   互变异构体数量：24

6、   拓扑分子极性表面积（TPSA）：211

7、   重原子数量：33

8、   表面电荷：0

9、   复杂度：704

10、同位素原子数量：0

11、确定原子立构中心数量：1

12、不确定原子立构中心数量：0

13、确定化学键立构中心数量：0

14、不确定化学键立构中心数量：0

15、共价键单元数量：1

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