Molecular Identity
11beta-Hydroxyandrost-4-ene-3,17-dione
(8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
PubChem CID: 94141
11beta-hydroxyandrost-4-ene-3,17-dione is a 17-oxo steroid, an 11beta-hydroxy steroid, a 3-oxo steroid and an androstanoid. It has a role as a mouse metabolite and a human metabolite.
2D Structure
Properties
C19H26O3
Molecular Formula
302.40
Molecular Weight
g/mol
302.1882
Exact Mass
Da
1.6
XLogP
Drug-like (Lipinski: < 5)
54.4
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
577
Complexity
SMILES
Canonical SMILES
SMILES: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4=O)C)OIsomeric SMILES
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CCC4=O)C)OSynonyms(20)
382-44-511beta-Hydroxyandrostenedione4-Androsten-11beta-ol-3,17-dione11beta-Hydroxyandrost-4-ene-3,17-dioneNSC-1710211beta-Hydroxy-4-androsten-3,17-dioneAndrost-4-ene-3,17-dione-11beta-olNSC-12167(8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione41G81C896TDTXSID8040931CHEBI:27967U-2826Androst-4-ene-3,17-dione, 11beta-hydroxy-Androst-4-ene-3,17-dione, 11-hydroxy-, (11beta)-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 11beta-Hydroxyandrost-4-ene-3,17-dione
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