 Home > Encyclopedia > (8R,9S,10R,13S,14S,17R)-17-[2-(butylamino)-1,3-thiazol-4-yl]-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

(8R,9S,10R,13S,14S,17R)-17-[2-(butylamino)-1,3-thiazol-4-yl]-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

(8R,9S,10R,13S,14S,17R)-17-[2-(butylamino)-1,3-thiazol-4-yl]-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one structure

CAS No:
96112-86-6
Formula:
C26H38N2O2S
Chemical Name:
(8R,9S,10R,13S,14S,17R)-17-[2-(butylamino)-1,3-thiazol-4-yl]-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Synonyms:
96112-86-6;17-beta-(2-(Butylamino)-4-thiazolyl)-17-alpha-hydroxy-androst-4-en-3-one;ANDROST-4-EN-3-ONE, 17-beta-(2-(BUTYLAMINO)-4-THIAZOLYL)-17-alpha-HYDROXY-;DTXSID20914655;17-[2-(Butylimino)-2,3-dihydro-1,3-thiazol-4-yl]-17-hydroxyandrost-4-en-3-one

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(8R,9S,10R,13S,14S,17R)-17-[2-(butylamino)-1,3-thiazol-4-yl]-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one Basic Attributes

Molecular Weight：

442.7 g/mol

Exact Mass：

442.26539963 g/mol

Characteristics

PSA：

90.5 Å²

XLogP3：

6.1476

Melting Point：

153 °C

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	17 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
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:442.7
XLogP3:5.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:442.26539963
Monoisotopic Mass:442.26539963
Topological Polar Surface Area:90.5
Heavy Atom Count:31
Complexity:756
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (8R,9S,10R,13S,14S,17R)-17-[2-(butylamino)-1,3-thiazol-4-yl]-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

Basic Attributes
Characteristics
Toxicity
Computed Properties

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