Anecortave Acetate
[2-[(8S,10S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Molecular Identity
Anecortave Acetate
[2-[(8S,10S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
PubChem CID: 111332
Anecortave acetate is an organic molecular entity.
2D Structure
Properties
C23H30O5
Molecular Formula
386.50
Molecular Weight
g/mol
386.2093
Exact Mass
Da
2.1
XLogP
Drug-like (Lipinski: < 5)
80.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
808
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)OCC(=O)C1(CCC2C1(CC=C3C2CCC4=CC(=O)CCC43C)C)OIsomeric SMILES
SMILES: CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=CC(=O)CC[C@@]43C)C)OSynonyms(20)
Anecortave acetate7753-60-8AL-3789Al 3789DTXSID504680517,21-Dihydroxypregna-4,9(11)-diene-3,20-dione 21-AcetateNSC-15475NSC-24345Y0PC411K4TAL3789DTXCID30268054,9(11)-pregnadien-17alpha,21-diol-3,20-dione-21-acetate2-[(1R,3aS,3bS,9aS,11aS)-1-hydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate2-((1R,3aS,3bS,9aS,11aS)-1-hydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,11H,11aH-cyclopenta(a)phenanthren-1-yl)-2-oxoethyl acetateRefChem:558056
Data from PubChem (NCBI)
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