5H-Cyclooct[b]indole-5-propanamine,6,7,8,9,10,11-hexahydro-N,N-dimethyl-
- 中文别名：伊普吲哚
- 中文释义：伊普吲哚;胺丙哚 胺丙吲哚 丙辛吲哚
- 英文别名：3-(6,7,8,9,10,11-hexahydrocycloocta[b]indol-5-yl)-N,N-dimethylpropan-1-amine;
Prondol;
Iprindole;
Galatur;
Pramindole;
WY-3263;
Tertran
- CAS No.：5560-72-5
- 分子式：C19H28N2
- 分子量：284.49
- 精确分子量：284.22500
- PSA：8.17000
- InChI：The Key: PLIGPBGDXASWPX-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.04g/cm3
- 沸点：
- 435.4ºC at 760mmHg
- 闪点：
- 217.1ºC
- 折射率：
- 1.573
安全信息
- 密度：
- 1.04g/cm3
- 沸点：
- 435.4ºC at 760mmHg
- 闪点：
- 217.1ºC
- 折射率：
- 1.573
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- GY0350000
- CHEMICAL NAME :
- 5H-Cyclooct(b)indole, 5-(3-(dimethylamino)propyl)-6,7,8,9,10,11-hexahydro-
- CAS REGISTRY NUMBER :
- 5560-72-5
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C19-H28-N2
- MOLECULAR WEIGHT :
- 284.49
- WISWESSER LINE NOTATION :
- T B658 HN&&TJ H3N1&1
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 :
- 775 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 18,185,1971
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 187 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,130,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 484 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 18,185,1971
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 195 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,130,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 32 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01206
分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值（XlogP）:4.6
2.氢键供体数量:0
3.氢键受体数量:1
4.可旋转化学键数量:4
5.互变异构体数量:无
6.拓扑分子极性表面积:8.2
7.重原子数量:21
8.表面电荷:0
9.复杂度:315
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: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
