Vilaprisan
(8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-11-(4-methylsulfonylphenyl)-17-(1,1,2,2,2-pentafluoroethyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Molecular Identity
Vilaprisan
(8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-11-(4-methylsulfonylphenyl)-17-(1,1,2,2,2-pentafluoroethyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
PubChem CID: 50915138
2D Structure
Properties
C27H29F5O4S
Molecular Formula
544.60
Molecular Weight
g/mol
544.1707
Exact Mass
Da
4.1
XLogP
Drug-like (Lipinski: < 5)
79.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
9
H-Bond Acceptors
1140
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Vilaprisan1262108-14-4BAY1002670BAY-1002670IN59K53GI9BAY 1002670(8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-11-(4-methylsulfonylphenyl)-17-(1,1,2,2,2-pentafluoroethyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-oneDTXSID20111077719-Norpregna-4,9-dien-3-one, 20,20,21,21,21-pentafluoro-17-hydroxy-11-(4-(methylsulfonyl)phenyl)-, (11beta,17alpha)-19-Norpregna-4,9-dien-3-one, 20,20,21,21,21-pentafluoro-17-hydroxy-11-[4-(methylsulfonyl)phenyl]-, (11beta,17alpha)-20,20,21,21,21-Pentafluoro-17-hydroxy-11beta-(4-(methanesulfonyl)phenyl)-19-nor-17alpha-pregna-4,9-dien-3-onevilaprisanum(8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-11-(4-methylsulfonylphenyl)-17-(1,1,2,2,2-pentafluoroethyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta(a)phenanthren-3-one20,20,21,21,21-Pentafluoro-17-hydroxy-11beta-[4-(methanesulfonyl)phenyl]-19-nor-17alpha-pregna-4,9-dien-3-oneRefChem:901856
Data from PubChem (NCBI)
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