盐酸海洛因

盐酸海洛因 基本信息
CAS号 1502-95-0 分子式 C21H24ClNO5
分子量 405.87200 精确质量  405.13400
PSA  65.07000 LogP  2.72850

基本信息 展开↓

CAS号:
1502-95-0
3D弹球模型:
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分子式:
C21H24ClNO5
分子量:
405.87200
中文名称:
盐酸海洛因
英文名称:
[(4R,4aR,7S,7aR,12bS)-9-acetyloxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl] acetate,hydrochloride
中文别名:
盐酸海洛因
英文别名:
[(4R,4aR,7S,7aR,12bS)-9-acetyloxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl] acetate,hydrochloride;
Diamorphine hydrochloride;
BAN hydrochloride;
Heroin hydrochloride solution;
Diacetylmorphinhydrochloridmonohydrat;
Diacetylmorphine HCl;
UNII-8H672SHT8E;
EINECS 216-124-5;
(-)-Heroin hydrochloride;
Acetomorphin hydrochloride;
diacetylmorphine hydrochloride;
Heroine hydrochloride
精确分子量/精确质量:
405.13400
极性分子表面积/PSA:
65.07000
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。
InChI:
The Key: FZJYQGFGNHGSFX-PVQKIFDLSA-N

物化性质展开↓

沸点:
492.9ºC at 760mmHg
闪点:
251.9ºC
蒸汽压:
7.38E-10mmHg at 25°C
存储条件/存储方法:
库房通风低温干燥,与氧化剂,食品分开储运

安全信息展开↓

包装等级:
II
风险类别:
6.1(a)
危险类别码:
11-23/24/25-39/23/24/25
危险标志:
F: Flammable;T: Toxic;

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QC8225000
CHEMICAL NAME :
Morphinan-3,6-alpha-diol, 7,8-didehydro-4,5-alpha-epoxy-17-methyl-, diacetate (ester), hydrochloride
CAS REGISTRY NUMBER :
1502-95-0
LAST UPDATED :
199306
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C21-H23-N-O5.Cl-H
MOLECULAR WEIGHT :
405.91
WISWESSER LINE NOTATION :
T B6566 B6/CO 4ABBC R BX HO PN DU GHT&&TTJ FOV1 JOV1 P1 &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
240 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 122,434,1959
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>60 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 221,266,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
38 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: 6,334,1964 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
80 mg/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
TJADAB Teratology, The International Journal of Abnormal Development. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968- Volume(issue)/page/year: 31,235,1985
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
65 mg/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - Central Nervous System
REFERENCE :
TJADAB Teratology, The International Journal of Abnormal Development. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968- Volume(issue)/page/year: 31,235,1985
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
80 mg/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death Reproductive - Specific Developmental Abnormalities - Central Nervous System
REFERENCE :
DGDFA5 Development, Growth & Differentiation. (Japan Pub. Trading Co. (USA), 1255 Howard St., San Francisco, CA 94103) V.11- 1969- Volume(issue)/page/year: 22,61,1980
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
100 mg/kg
SEX/DURATION :
female 9-18 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Effects on Newborn - behavioral
REFERENCE :
DBRRDB Developmental Brain Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1981- Volume(issue)/page/year: 69,207,1992
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
148 mg/kg
SEX/DURATION :
female 8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - other developmental abnormalities
REFERENCE :
AJOGAH American Journal of Obstetrics and Gynecology. (C.V. Mosby Co., 11830 Westline Industrial Dr., St. Louis, MO 63146) V.1- 1920- Volume(issue)/page/year: 123,705,1975
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