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

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Basic information

CAS: 96687-24-0
Standard SMILES: CC(C)Nc1nc([C@@]2(O)CC[C@H]3[C@@H]4CCC5=C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)cs1
InChIKey: BRTIEGAEDSTNID-HIYRCXEDSA-N
Molecular formula: C25H38N2O2S
Average molar mass: 430.6 g/mol
Monoisotopic mass: 430.26539963

Names & identifiers

Preferred name: Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(isopropylamino)-4-thiazolyl)-
IUPAC: (3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol

Names & synonyms

17-beta-(2-(Isopropylamino)-4-thiazolyl)androst-4-ene-3-beta,17-alpha-diol96687-24-0ANDROST-4-ENE-3-beta,17-alpha-DIOL, 17-beta-(2-(ISOPROPYLAMINO)-4-THIAZOLYL)-RefChem:319537DTXSID8091439317-{2-[(Propan-2-yl)imino]-2,3-dihydro-1,3-thiazol-4-yl}androst-4-ene-3,17-diol17beta-{2-[(Propan-2-yl)imino]-2,3-dihydro-1,3-thiazol-4-yl}androst-4-ene-3beta,17alpha-diol

Database identifiers

CAS: 96687-24-0
PubChem CID: 57119
DTXSID: DTXSID80914393

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 93.6 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 30
Formal charge: 0
Complexity: 713

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Compound notes

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