16beta-Bromo-3beta,17alpha-dihydroxy-5alpha-pregnane-11,20-dione

CAS 1780-98-9 MFCD N/A

化学结构图

1780-98-9
SMILES: CC(=O)C1(O)C(Br)CC2C3CCC4CC(O)CCC4(C)C3C(=O)CC21C

化学属性

Mol. Weight427.43
Mol. FormulaC21H31BrO4

别名和识别编码

Wiswesser Line NotationL E5 B666 CVTJ A1 E1 FV1 FQ GE OQ
Chemical Name16beta-Bromo-3beta,17alpha-dihydroxy-5alpha-pregnane-11,20-dione
Synonym 16 beta-bromo-3 beta,17 alpha-dihydroxy-5 alpha-pregnane-11,20-dione 16-beta-Bromo-3-beta,17-alpha-dihydroxy-5-alpha-pregnane-11,20-dione
CAS Number1780-98-9
InChIKeyJROPAJOQOJBRHP-HTMMRMGMSA-N
PubChem Substance ID134491
InChIInChI=1S/C21H31BrO4/c1-11(23)21(26)17(22)9-15-14-5-4-12-8-13(24)6-7-19(12,2)18(14)16(25)10-20(15,21)3/h12-15,17-18,24,26H,4-10H2,1-3H3/t12-,13-,14-,15-,17-,18+,19-,20-,21+/m0/s1
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安全信息

RTECSTU4157170 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 270 mg/kg
SEX/DURATION            : female 13-21 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - urogenital system
REFERENCE :
   JOENAK Journal of Endocrinology.  (Biochemical Soc. Book Depot, POB 32,
   Commerce Way, Colchester, Essex CO2 8HP, UK)  V.1-    1939-
   Volume(issue)/page/year: 71,289,1976

系列性分类

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