Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(p-toluidino)-4-thiazolyl)-, ethanolate

(3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[2-(4-methylanilino)-1,3-thiazol-3-ium-4-yl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol;ethanolate

CAS: 96969-35-6

Molecular Formula	`C31H44N2O3S`
Molecular Weight	524.8 g/mol
Topological Polar Surface Area	118.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	524.30725
Heavy Atoms	37
Complexity	815.0

Chemical Identifiers

CAS Number	96969-35-6
SMILES	`CC[O-].CC1=CC=C(C=C1)NC2=[NH+]C(=CS2)C3(CCC4C3(CCC5C4CCC6=CC(CCC56C)O)C)O`
InChIKey	`BSBBHTDOFYXMAP-BCGGSMDTSA-O`

📖 Product Overview

Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(p-toluidino)-4-thiazolyl)-, ethanolate (CAS: 96969-35-6) is a chemical compound with molecular formula C31H44N2O3S and molecular weight 524.8 g/mol. Its IUPAC systematic name is (3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[2-(4-methylanilino)-1,3-thiazol-3-ium-4-yl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol;ethanolate. Topological Polar Surface Area 118.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 5 Rotatable Bonds 3 Exact Mass 524.30725 Heavy Atoms 37 Complexity 815.0 InChI Key: BSBBHTDOFYXMAP-BCGGSMDTSA-O. SMILES: CC[O-].CC1=CC=C(C=C1)NC2=[NH+]C(=CS2)C3(CCC4C3(CCC5C4CCC6=CC(CCC56C)O)C)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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