异丙嗪

异丙嗪 基本信息
CAS号 60-87-7 分子式 C17H20N2S
分子量 284.41900 精确质量 　284.13500
PSA 　31.78000 LogP 　4.30440
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等价的CAS号：

60-87-7,67253-23-0,73745-50-3,92998-17-9
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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 毒性 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
60-87-7
3D弹球模型：
立即前往扯扯看
分子式：
C17H20N2S
分子量：
284.41900
中文名称：
异丙嗪
英文名称：
promethazine
中文别名：
异丙嗪;
菲那根;
普鲁米近
英文别名：
promethazine;
10-[2-(dimethylamino)propyl]phenothiazine;
Avomine;
3277 RP;
(RS)-dimethyl[1-methyl-2-(phenothiazone-10-yl)ethyl]amine hydrochloride;
Dimapp;
PROMETHAZINE;
WY 509;
Procit;
Fenazil;
Fargan;
Prorex;
Aprobit
精确分子量/精确质量：
284.13500
极性分子表面积/PSA：
31.78000
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：
The Key: PWWVAXIEGOYWEE-UHFFFAOYSA-N

生产制备方法及用途展开↓

制备方法

将吩噻和碱加入甲苯中,加热回流1h。稍冷,加入2-氯-1-二甲氨基丙烷的甲苯溶液,回流带水10-12h。冷至50℃以下,将反应液过滤,滤渣用少量丙酮和水洗涤,合并洗滤液,静置,分取甲苯层,减压蒸馏回收甲苯,收集220-260℃(1.33-2.66kPa)馏分,得异丙嗪(盐基)。将异丙嗪盐基加入丙酮中,在50℃左右通入干燥的氯化氢气体进行成盐反应,生成异丙嗪盐酸盐。

用途简介

抗组织胺药。适用于各种过敏性疾病(如哮喘、荨麻疹、过敏性鼻炎及支气管哮喘等)和孕期呕吐,亦可与氯丙嗪等配合成科眠合剂,用于人工冬眠。

物化性质展开↓

密度：
1.131
熔点：
60ºC
沸点：
190-192ºC at 3 mm Hg

安全信息展开↓

海关代码：
2934300000

合成路线查看所有的合成路线

  • 58-33-3

    盐酸异丙嗪

  • →

    ~89%

  • 60-87-7

    异丙嗪

  • 92-84-2

    吩噻嗪

  • +

  • 17256-39-2

    .β.-Dimethylaminoisopropyl chloride, hydrochloride

  • →

    ~70%

  • 60-87-7

    异丙嗪

  • 72332-06-0

    2-[2-(dimethylamino)propyl] phenothiazine-10-carboxylate

  • →

  • 92-84-2

    吩噻嗪

  • +

  • 303-14-0

    硫酸)氢(E)-4,4'-(1,2-二乙基乙烯)二苯基二(

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SO6825000
CHEMICAL NAME :
Phenothiazine, 10-(2-dimethylaminopropyl)-
CAS REGISTRY NUMBER :
60-87-7
BEILSTEIN REFERENCE NO. :
0088554
LAST UPDATED :
199707
DATA ITEMS CITED :
32
MOLECULAR FORMULA :
C17-H20-N2-S
MOLECULAR WEIGHT :
284.45
WISWESSER LINE NOTATION :
T C666 BN ISJ B1Y1&N1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
Rinsed with water
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Human - child
DOSE/DURATION :
13 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation) Behavioral - wakefulness Behavioral - hallucinations, distorted perceptions
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
2857 ug/kg/C
TOXIC EFFECTS :
Behavioral - coma
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
140 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 :
700 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness Nutritional and Gross Metabolic - body temperature decrease
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
45 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 :
Intramuscular
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
169 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 :
326 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 :
124 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
225 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 :
40 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 :
Intramuscular
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
175 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation) Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
580 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 - rabbit
DOSE/DURATION :
19 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 - guinea pig
DOSE/DURATION :
640 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 - guinea pig
DOSE/DURATION :
116 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 - guinea pig
DOSE/DURATION :
520 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 - guinea pig
DOSE/DURATION :
27 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
DOSE :
350 mg/kg
SEX/DURATION :
female 10-16 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 :
Parenteral
DOSE :
350 mg/kg
SEX/DURATION :
female 4 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

MUTATION DATA

TYPE OF TEST :
Mutation in mammalian somatic cells
TEST SYSTEM :
Rodent - hamster Lung
DOSE/DURATION :
10 mg/L
REFERENCE :
SHIGAZ Shigaku. Ondotology. (Nippon Shika Daigaku Shigakkai, 1-9-20 Fujimi, Chiyodaku, Tokyo 102, Japan) V.38- 1949- Volume(issue)/page/year: 70,943,1983 *** REVIEWS *** TOXICOLOGY REVIEW IDPYAK Industrial Pharmacology. (Mount Kisco, NY) V.1-3, 1974-79. Discontinued. Volume(issue)/page/year: 1,203,1974 TOXICOLOGY REVIEW ARVPAX Annual Review of Pharmacology. (Palo Alto, CA) V.1-15, 1961-75. For publisher information, see ARPTDI. Volume(issue)/page/year: 5,447,1965 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M0709 No. of Facilities: 177 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 886 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M0709 No. of Facilities: 49 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 1726 (estimated) No. of Female Employees: 1010 (estimated)

海关数据查看详细

中国海关编码：2934300000

概述：
2934300000. 含一个吩噻嗪环系的化合物(吩噻嗪环系不论是否氢化,化合物未经进一步稠合的 ). 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
摘要/Summary：
2934300000. other compounds containing in the structure a phenothiazine ring-system (whether or not hydrogenated), not further fused. 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↓

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积:31.8

7.重原子数量:20

8.表面电荷:0

9.复杂度:298

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:1

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

上下游相关产品

上游产品

更多

  • 58-33-3

    盐酸异丙嗪

  • 92-84-2

    吩噻嗪

  • 17256-39-2

    .β.-Dimethylaminoisopropyl chloride, hydrochloride

  • 53309-35-6

    2-二甲氨基氯丙烷

  • 60-87-7

    异丙嗪

下游产品

更多

  • 7640-51-9

    异丙嗪亚砜

  • 60-87-7

    异丙嗪

  • 581-30-6

    phenothiazin-3-one

  • 38076-67-4

    phenothiazine-10-carbaldehyde

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