1-Propanamine,3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-, (3Z)-
- 中文别名：氯普噻吨
- 中文释义：氯普噻吨;(Z)-N,N-二甲基-3-(2-氯-9H-亚噻吨基)-1-丙胺;反式-2-氯-9-(3-二甲胺基亚丙基)硫杂蒽
- 英文别名：chlorprothixene;
chloroprothixene;
Truxil;
CPX;
Chlorprothixene;
mk184;
N 714C;
n714;
Paxyl;
Truxal
- CAS No.：113-59-7
- 分子式：
C18H18ClNS
- 分子量：315.86
- 精确分子量：315.08500
- PSA：28.54000
- InChI：InChI=1/C18H18ClNS.ClH/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18;/h3-4,6-10,12H,5,11H2,1-2H3;1H/b14-7+;
- 分子结构式：
物化性质
- 密度：
- 1.255g/cm3
- 沸点：
- 435ºC at 760mmHg
- 闪点：
- 216.9ºC
- 蒸汽压：
- 9.06E-08mmHg at 25°C
- 其它信息：
1.性状：淡黄色结晶性粉末。
2. 熔点（ºC）：97-98
3.溶解性：不溶于乙醇、乙醚、氯仿。
安全信息
- 密度：
- 1.255g/cm3
- 沸点：
- 435ºC at 760mmHg
- 闪点：
- 216.9ºC
- 蒸汽压：
- 9.06E-08mmHg at 25°C
- 其它信息：
1.性状：淡黄色结晶性粉末。
2. 熔点（ºC）：97-98
3.溶解性：不溶于乙醇、乙醚、氯仿。
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XO1050000
- CHEMICAL NAME :
- Thioxanthene-delta(sup 9),gamma-propylamine, 2-chloro-N,N-dimethyl-, (Z)-
- CAS REGISTRY NUMBER :
- 113-59-7
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 9
- MOLECULAR FORMULA :
- C18-H18-Cl-N-S
- MOLECULAR WEIGHT :
- 315.88
- WISWESSER LINE NOTATION :
- T C666 BS IYJ FG IU3N1&1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - man
- DOSE/DURATION :
- 7 mg/kg
- TOXIC EFFECTS :
- Behavioral - general anesthetic Behavioral - changes in motor activity (specific assay) Behavioral - muscle weakness
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 14,596,1964
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,252,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 50100 ug/kg
- TOXIC EFFECTS :
- Tumorigenic - active as anti-cancer agent
- REFERENCE :
- CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 47,5944,1987
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 56200 ug/kg
- TOXIC EFFECTS :
- Tumorigenic - active as anti-cancer agent
- REFERENCE :
- CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 47,5944,1987
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 36 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,373,1990
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 182 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 29ZVAB "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969 Volume(issue)/page/year: -,33,1969 ** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 360 mg/kg
- SEX/DURATION :
- male 15 week(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - impotence
- REFERENCE :
- AJPSAO American Journal of Psychiatry. (American Psychiatric Assoc., Circulation Dept., 1400 K St., NW, Washington, DC 20005) V.78- 1921- Volume(issue)/page/year: 120,1004,1964 *** REVIEWS *** TOXICOLOGY REVIEW IDPYAK Industrial Pharmacology. (Mount Kisco, NY) V.1-3, 1974-79. Discontinued. Volume(issue)/page/year: 1,203,1974
海关数据
中国海关编码：2932999099
- 概述：
- 2932999099. 其他仅含氧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
- 摘要/Summary：
- 2932999099. other heterocyclic compounds with oxygen 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
分子结构数据
1、 摩尔折射率：95.35
2、 摩尔体积（cm3/mol）：251.4
3、 等张比容（90.2K）：684.5
4、 表面张力（dyne/cm）：54.8
5、 极化率（10-24cm3）：37.80
