1-Piperidinepropanol, a-cyclopentyl-a-phenyl-, hydrochloride (1:1)
- 中文别名：盐酸赛克立明
- 中文释义：盐酸赛克立明;cycrimine hydrochloride
- 英文别名：cycrimine hydrochloride;
1-cyclopentyl-1-phenyl-3-piperidin-1-ylpropan-1-ol,hydrochloride;
1-Cyclopentyl-1-phenyl-3-piperidino-propan-1-ol,Hydrochlorid;
Cycrimine hydrochloride;
Compound 8958;
EINECS 204-764-8;
Pagitane hydrochloride;
1-Phenyl-1-cyclopentyl-3-piperidino-1-propanol hydrochloride;
1-cyclopentyl-1-phenyl-3-piperidino-propan-1-ol,hydrochloride;
Cycrimine HCl
- CAS No.：126-02-3
- 分子式：
C19H29NO.ClH
- 分子量：323.95
- 精确分子量：323.20200
- PSA：23.47000
- InChI：The Key: WBCWFMFZMRFRLT-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 沸点：
- 433.5ºC at 760mmHg
- 闪点：
- 205.7ºC
- 蒸汽压：
- 2.76E-08mmHg at 25°C
安全信息
- 沸点：
- 433.5ºC at 760mmHg
- 闪点：
- 205.7ºC
- 蒸汽压：
- 2.76E-08mmHg at 25°C
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- TN2800000
- CHEMICAL NAME :
- 1-Piperidinepropanol, alpha-cyclopentyl-alpha-phenyl-, hydrochloride
- CAS REGISTRY NUMBER :
- 126-02-3
- LAST UPDATED :
- 199504
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C19-H29-N-O.Cl-H
- MOLECULAR WEIGHT :
- 323.95
- WISWESSER LINE NOTATION :
- T6NTJ A2XQR&- AL5TJ &GH
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 :
- 628 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: -,218,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 349 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: -,218,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 250 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD691-490
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 50 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: -,218,1972 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5470 No. of Facilities: 26 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 1324 (estimated) No. of Female Employees: 667 (estimated)
海关数据
中国海关编码：2933399090
- 概述：
- 2933399090. 其他结构含非稠合吡啶环的化合物. 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：
- 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. 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
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:2
3.氢键受体数量:2
4.可旋转化学键数量:5
5.互变异构体数量:无
6.拓扑分子极性表面积:23.5
7.重原子数量:22
8.表面电荷:0
9.复杂度:301
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:2
