本胆烷-17β-醇-3-酮

本胆烷-17β-醇-3-酮 基本信息
CAS号 571-22-2 分子式 C19H30O2
分子量 290.44000 精确质量  290.22500
PSA  37.30000 LogP  3.95910

等价的CAS号:

521-18-6,571-22-2,571-24-4,2150-84-7,5692-03-5,29873-50-5,35456-91-8,35457-09-1,36027-76-6,64282-57-1,124377-49-7

基本信息 展开↓

CAS号:
571-22-2
3D弹球模型:
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分子式:
C19H30O2
分子量:
290.44000
中文名称:
本胆烷-17β-醇-3-酮
英文名称:
(5R,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
中文别名:
本胆烷-17β-醇-3-酮
英文别名:
(5R,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one;
5beta,17beta-Hydroxyandrostan-3-one;
5beta-Androstan-17beta-ol-3-one;
Etiocholan-17beta-ol-3-one;
5beta-Dihydrotestosterone;
17beta-Hydroxyetiocholan-3-one
精确分子量/精确质量:
290.22500
极性分子表面积/PSA:
37.30000
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: NVKAWKQGWWIWPM-UWWKKLJASA-N

物化性质展开↓

密度:
1.085g/cm3
沸点:
413.1ºC at 760 mmHg
闪点:
176.4ºC
折射率:
1.536

安全信息展开↓

危险类别码:
45-46-61-20/21/22
RTECS号:
BV8054000

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
BV8054000
CHEMICAL NAME :
5-beta-Androstan-3-one, 17-beta-hydroxy-
CAS REGISTRY NUMBER :
571-22-2
LAST UPDATED :
199206
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C19-H30-O2
MOLECULAR WEIGHT :
290.49
WISWESSER LINE NOTATION :
L E5 B666 OVTJ A1 E1 FQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
240 mg/kg/5D-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Skin and Appendages - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
160 mg/kg
SEX/DURATION :
female 12-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - skin and skin appendages Reproductive - Effects on Newborn - delayed effects

MUTATION DATA

TYPE OF TEST :
DNA inhibition
TEST SYSTEM :
Human Lymphocyte
DOSE/DURATION :
50 umol/L
REFERENCE :
PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 146,401,1974

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