Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(methylamino)-4-thiazolyl)-, monohydrate

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

CAS: 95671-15-1

Molecular Formula	`C23H36N2O3S`
Molecular Weight	420.6 g/mol
Topological Polar Surface Area	94.6 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	6
Rotatable Bonds	2
Exact Mass	420.24466
Heavy Atoms	29
Complexity	671.0

Chemical Identifiers

CAS Number	95671-15-1
SMILES	`CC12CCC(C=C1CCC3C2CCC4(C3CCC4(C5=CSC(=N5)NC)O)C)O.O`
InChIKey	`KNAYCVWNRFOTMP-SEWWNTSASA-N`

📖 Product Overview

Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(methylamino)-4-thiazolyl)-, monohydrate (CAS: 95671-15-1) is a chemical compound with molecular formula C23H36N2O3S and molecular weight 420.6 g/mol. Its IUPAC systematic name is (3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[2-(methylamino)-1,3-thiazol-4-yl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol;hydrate. Topological Polar Surface Area 94.6 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 6 Rotatable Bonds 2 Exact Mass 420.24466 Heavy Atoms 29 Complexity 671.0 InChI Key: KNAYCVWNRFOTMP-SEWWNTSASA-N. SMILES: CC12CCC(C=C1CCC3C2CCC4(C3CCC4(C5=CSC(=N5)NC)O)C)O.O.

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