盐酸卤泛群

盐酸卤泛群 基本信息
CAS号 36167-63-2 分子式 C26H31Cl3F3NO
分子量 536.88500 精确质量  535.14200
PSA  23.47000 LogP  9.44630

等价的CAS号:

36167-63-2,66051-64-7,66051-71-6,106927-11-1

基本信息 展开↓

CAS号:
36167-63-2
3D弹球模型:
立即前往扯扯看
分子式:
C26H31Cl3F3NO
分子量:
536.88500
中文名称:
盐酸卤泛群
英文名称:
Halofantrine Hydrochloride
中文别名:
盐酸卤泛群;
卤泛群 盐酸盐
英文别名:
Halofantrine Hydrochloride;
Halofantrine hydrochloride
精确分子量/精确质量:
535.14200
极性分子表面积/PSA:
23.47000
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。
贝尔斯坦号/MDL:
MFCD00879136
EINECS:
252-895-4
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

物化性质展开↓

密度:
1.244g/cm3
沸点:
596.2ºC at 760mmHg
闪点:
314.4ºC

安全信息展开↓

RTECS号:
SF7790000

毒理性展开↓

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展开↓

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

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