Asoprisnil
(8S,11R,13S,14S,17S)-11-[4-[(E)-hydroxyiminomethyl]phenyl]-17-methoxy-17-(methoxymethyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Molecular Identity
Asoprisnil
(8S,11R,13S,14S,17S)-11-[4-[(E)-hydroxyiminomethyl]phenyl]-17-methoxy-17-(methoxymethyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
PubChem CID: 9577221
2D Structure
Properties
C28H35NO4
Molecular Formula
449.60
Molecular Weight
g/mol
449.2566
Exact Mass
Da
3.2
XLogP
Drug-like (Lipinski: < 5)
68.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
867
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Asoprisnil199396-76-4J867J-867Asoprisnilo(8S,11R,13S,14S,17S)-11-[4-[(E)-hydroxyiminomethyl]phenyl]-17-methoxy-17-(methoxymethyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one72W09924WPBAY86-5294DTXSID4090403311beta-(4-((E)-(Hydroxyimino)methyl)phenyl)-17beta-methoxy-17-(methoxymethyl)estra-4,9-dien-3-oneBenzaldehyde, 4-[(11beta,17beta)-17-methoxy-17-(methoxymethyl)-3-oxoestra-4,9-dien-11-yl]-, 1-oxime, [C(E)]-Benzaldehyde, 4-((11beta,17beta)-17-methoxy-17-(methoxymethyl)-3-oxoestra-4,9-dien-11-yl)-, 1-oxime, (C(E))-asoprisnilumAsoprisnili ecamas(8S,11R,13S,14S,17S)-11-(4-((E)-hydroxyiminomethyl)phenyl)-17-methoxy-17-(methoxymethyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta(a)phenanthren-3-one
Data from PubChem (NCBI)
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