安西他滨

安西他滨 基本信息
CAS号 31698-14-3 分子式 C9H11N3O4
分子量 225.20100 精确质量 　225.07500
PSA 　100.59000 LogP 　-1.52610
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等价的CAS号：

31698-14-3,60046-80-2,60102-32-1
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目录
基本信息 物化性质 合成路线 毒性 上下游

基本信息 展开↓

CAS号：
31698-14-3
3D弹球模型：
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分子式：
C9H11N3O4
分子量：
225.20100
中文名称：
安西他滨
英文名称：
ancitabine
中文别名：
安西他滨;
环胞啶;
1,4-双(双氰)环己烷;
1,4 -双(双氰)环己烷
英文别名：
ancitabine;
anhydroarac;
CYCLOCYTIDINE HCL;
Cyclocytidine;
Ancitabine;
2,2'-(1,4-CYCLOHEXANEDIYLIDENE)-BISPROPANEDINITRILE;
2,2'-ANHYDRO-L-CYTIDINE;
2,2'-anhydrocytidine;
anhydrocytidine;
cyclocitidine;
ancytabine
精确分子量/精确质量：
225.07500
极性分子表面积/PSA：
100.59000
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。
InChI：
InChI=1/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2/t4-,6-,7+,8-/m1/s1

物化性质展开↓

密度：
2.01 g/cm3
熔点：
269-270ºC
沸点：
422.2ºCat 760 mmHg

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
LV2610000
CAS REGISTRY NUMBER :
31698-14-3
LAST UPDATED :
199512
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C9-H11-N3-O4
MOLECULAR WEIGHT :
225.23
WISWESSER LINE NOTATION :
T B556 AN CO GO INYTT&J D1Q EQ JUM

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>7 gm/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 :
1700 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - respiratory stimulation
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
820 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 :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3400 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - respiratory stimulation
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1600 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - respiratory stimulation
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
4050 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 :
800 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 :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2745 mg/kg/9W-I
TOXIC EFFECTS :
Endocrine - changes in adrenal weight Blood - changes in erythrocyte (RBC) count Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other transferases

MUTATION DATA

TYPE OF TEST :
DNA inhibition
TEST SYSTEM :
Human Leukocyte
DOSE/DURATION :
700 ug/L
REFERENCE :
BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 23,1235,1974

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