Structure via PubChem · Public domain (PubChem)
estradiol acetate
Sign in to saveAlso known as estradiol 3-acetate, E3A, ESTRADIOL-3-ACETATE
chemical compound
Chemical data
- Formula
- C20H26O3
- Molecular weight
- 314.4 g/mol
- IUPAC name
- [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] acetate
- SMILES
- CC(=O)OC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4O)C
- InChIKey
- FHXBMXJMKMWVRG-SLHNCBLASA-N
- XLogP
- 2.8
- Polar surface area
- 46.5 Ų
- H-bond donors
- 1
- H-bond acceptors
- 3
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Max clinical phase
- Approved
- Molecule type
- Small molecule
- First approval
- 2003
- Admin. routes
- oral, topical
- Indications
- Atrophy, menopause
via ChEMBL · EBI
Wikidata facts
- Mass
- 314.188
Show 3 more facts
- canonical SMILES
- CC(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CCC4O)C
- isomeric SMILES
- CC(=O)OC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4O)C
- chemical formula
- C₂₀H₂₆O₃
Sources (2)
via Wikidata · CC0