9-Phenanthrenemethanol,1,3-dichloro-a-[2-(dibutylamino)ethyl]-6-(trifluoromethyl)-,hydrochloride (1:1)
- 中文别名：盐酸卤泛群
- 中文释义：盐酸卤泛群;卤泛群 盐酸盐
- 英文别名：Halofantrine Hydrochloride;
Halofantrine hydrochloride
- CAS No.：36167-63-2
- 分子式：C26H30Cl2F3NO.ClH
- 分子量：536.88
- 精确分子量：535.14200
- PSA：23.47000
- MDL：MFCD00879136
- InChI：InChI=1/C26H32Cl2F3NO.ClH/c1-3-5-12-32(13-6-4-2)14-11-24(33)25(28)17-20(27)16-22-21-15-19(26(29,30)31)9-7-18(21)8-10-23(22)25;/h7-10,15-16,24,33H,3-6,11-14,17H2,1-2H3;1H
- 分子结构式：
物化性质
- 密度：
- 1.244g/cm3
- 沸点：
- 596.2ºC at 760mmHg
- 闪点：
- 314.4ºC
安全信息
- 密度：
- 1.244g/cm3
- 沸点：
- 596.2ºC at 760mmHg
- 闪点：
- 314.4ºC
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- SF7790000
- CHEMICAL NAME :
- 9-Phenanthrenemethanol, 1,3-dichloro-alpha-(2-(dibutylamino)ethyl)-6-(trifluo romethyl)-, hydrochloride
- CAS REGISTRY NUMBER :
- 36167-63-2
- LAST UPDATED :
- 199503
- DATA ITEMS CITED :
- 8
- MOLECULAR FORMULA :
- C26-H30-Cl2-F3-N-O.Cl-H
- MOLECULAR WEIGHT :
- 536.93
- WISWESSER LINE NOTATION :
- L B666J DG FG IYQ2N4&4 MXFFF &GH
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - man
- DOSE/DURATION :
- 7143 ug/kg
- TOXIC EFFECTS :
- Liver - liver function tests impaired Kidney, Ureter, Bladder - urine volume decreased Kidney, Ureter, Bladder - hematuria
- REFERENCE :
- LANCAO Lancet. (7 Adam St., London WC2N 6AD, UK) V.1- 1823- Volume(issue)/page/year: 340,909,1992
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - man
- DOSE/DURATION :
- 18 mg/kg/D
- TOXIC EFFECTS :
- Gastrointestinal - nausea or vomiting Gastrointestinal - other changes
- REFERENCE :
- DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 5,547,1980
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - woman
- DOSE/DURATION :
- 72 mg/kg/3D-I
- TOXIC EFFECTS :
- Cardiac - cardiomyopathy including infarction
- REFERENCE :
- LANCAO Lancet. (7 Adam St., London WC2N 6AD, UK) V.1- 1823- Volume(issue)/page/year: 341,1054,1993
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - man
- DOSE/DURATION :
- 7143 ug/kg
- TOXIC EFFECTS :
- Liver - jaundice, other or unclassified Kidney, Ureter, Bladder - urine volume decreased Blood - other hemolysis with or without anemia
- REFERENCE :
- LANCAO Lancet. (7 Adam St., London WC2N 6AD, UK) V.1- 1823- Volume(issue)/page/year: 340,909,1992
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3400 mg/kg
- TOXIC EFFECTS :
- Gastrointestinal - nausea or vomiting Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- ACTRAQ Acta Tropica. (Schwabe & Co., Steintorstr. 13, CH-4010 Basel, Switzerland) V.1- 1944- Volume(issue)/page/year: 37,232,1980
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2050 mg/kg
- TOXIC EFFECTS :
- Gastrointestinal - nausea or vomiting Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- ACTRAQ Acta Tropica. (Schwabe & Co., Steintorstr. 13, CH-4010 Basel, Switzerland) V.1- 1944- Volume(issue)/page/year: 37,232,1980 ** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 240 mg/kg
- SEX/DURATION :
- female 6 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetal death
- REFERENCE :
- TOXID9 Toxicologist. (Soc. of Toxicology, Inc., 475 Wolf Ledge Parkway, Akron, OH 44311) V.1- 1981- Volume(issue)/page/year: 4,85,1984
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 120 mg/kg
- SEX/DURATION :
- female 6 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
- REFERENCE :
- TOXID9 Toxicologist. (Soc. of Toxicology, Inc., 475 Wolf Ledge Parkway, Akron, OH 44311) V.1- 1981- Volume(issue)/page/year: 4,85,1984
分子结构与计算化学数据
分子结构数据
1、 摩尔折射率：131.67
2、 摩尔体积（cm3/mol）：403.7
3、 等张比容（90.2K）：1004.2
4、 表面张力（dyne/cm）：38.2
5、 极化率（10-24cm3）：52.19
