(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-17-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
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![(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-17-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2b2991cb757046e885fd3bb140c3467d.png "(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-17-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one")
(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-17-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
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CAS No:
95872-06-3
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Formula:
C25H36N2O2S
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Chemical Name:
(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-17-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
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Synonyms:
95872-06-3;17-alpha-Hydroxy-17-beta-(2-(isopropylamino)-4-thiazolyl)androst-4-en-3-one;Androst-4-en-3-one, 17alpha-hydroxy-17-(2-(isopropylamino)-4-thiazolyl)-;ANDROST-4-EN-3-ONE, 17-alpha-HYDROXY-17-beta-(2-(ISOPROPYLAMINO)-4-THIAZOLYL)-;DTXSID80914777;17-Hydroxy-17-{2-[(propan-2-yl)imino]-2,3-dihydro-1,3-thiazol-4-yl}androst-4-en-3-one
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CAS No:
(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-17-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one Basic Attributes
428.6 g/mol
428.24974957 g/mol
Toxicity
| Name | Type of Test | Exposure Route | Species Observed | Dose/Duration | Toxic Effects | Reference |
|---|---|---|---|---|---|---|
| ACUTE TOXICITY DATA | LDLo - Lowest published lethal dose | Parenteral | Bird - pigeon | 5330 ug/kg | Details of toxic effects not reported other than lethal dose value-- | Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 11,604,1963 |
| ACUTE TOXICITY DATA | LDLo - Lowest published lethal dose | Parenteral | Amphibian - frog | 30 mg/kg | Details of toxic effects not reported other than lethal dose value-- | Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 11,604,1963 |
Computed Properties
Molecular Weight:428.6
XLogP3:5.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:428.24974957
Monoisotopic Mass:428.24974957
Topological Polar Surface Area:90.5
Heavy Atom Count:30
Complexity:753
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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