Telapristone Acetate
[(8S,11R,13S,14S,17R)-11-[4-(dimethylamino)phenyl]-17-(2-methoxyacetyl)-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Molecular Identity
Telapristone Acetate
[(8S,11R,13S,14S,17R)-11-[4-(dimethylamino)phenyl]-17-(2-methoxyacetyl)-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
PubChem CID: 9806190
Telapristone acetate is a steroid ester.
2D Structure
Properties
C31H39NO5
Molecular Formula
505.60
Molecular Weight
g/mol
505.2828
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
72.9
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
6
H-Bond Acceptors
1020
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)OC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)C(=O)COCIsomeric SMILES
SMILES: CC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)N(C)C)C)C(=O)COCSynonyms(20)
Telapristone acetate198414-31-2ProellexCDB-41241K9EYK92PQCDB4124RU 44675ZPV-200RU-44675DTXSID6017358717alpha-Acetoxy-11beta-(4-(dimethylamino)phenyl)-21-methoxy-19-norpregna-4,9-dien-3,20-dione(8S,11R,13S,14S,17R)-11-(4-(dimethylamino)phenyl)-17-(2-methoxyacetyl)-13-methyl-3-oxo-2,3,6,7,8,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate19-Norpregna-4,9-diene-3,20-dione, 17-(acetyloxy)-11-(4-(dimethylamino)phenyl)-21-methoxy-, (11beta)-ProellextmProgenta
Data from PubChem (NCBI)
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Drug Network
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