Molecular Identity
16alpha-Bromoepiandrosterone
(3S,5S,8R,9S,10S,13S,14S,16R)-16-bromo-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
PubChem CID: 71613
2D Structure
Properties
C19H29BrO2
Molecular Formula
369.30
Molecular Weight
g/mol
368.1351
Exact Mass
Da
4.6
XLogP
Drug-like (Lipinski: < 5)
37.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
2
H-Bond Acceptors
492
Complexity
SMILES
Canonical SMILES
SMILES: CC12CCC(CC1CCC3C2CCC4(C3CC(C4=O)Br)C)OIsomeric SMILES
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H](C4=O)Br)C)OSynonyms(20)
16alpha-Bromoepiandrosterone16-Bromoepiandrosterone28507-02-0HE-2000HE200016-Br-Epi9735KA370S16alpha-Bromo-3beta-hydroxy-5alpha-androstan-17-oneDTXSID608654305alpha-Androstan-17-one, 16alpha-bromo-3beta-hydroxy-RefChem:79071DTXCID901509832InactivinEpi-BrPPB2
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 16alpha-Bromoepiandrosterone
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