Structure via PubChem · Public domain (PubChem)
acefluranol
Sign in to saveAlso known as 2,3-bis(3,4-diacetoxy-5-fluorophenyl)pentane
Acefluranol (developmental code name BX-591), also known as 2,3-bis(3,4-diacetoxy-5-fluorophenyl)pentane, is a nonsteroidal antiestrogen of the stilbestrol group that was never marketed.
Chemical data
- Formula
- C25H26F2O8
- Molecular weight
- 492.5 g/mol
- IUPAC name
- [2-acetyloxy-5-[(2S,3R)-3-(3,4-diacetyloxy-5-fluorophenyl)pentan-2-yl]-3-fluorophenyl] acetate
- SMILES
- CC[C@@H](C1=CC(=C(C(=C1)F)OC(=O)C)OC(=O)C)[C@H](C)C2=CC(=C(C(=C2)F)OC(=O)C)OC(=O)C
- InChIKey
- WSTGQGOLZDAWND-CWTRNNRKSA-N
- XLogP
- 4.5
- Polar surface area
- 105 Ų
- H-bond donors
- 0
- H-bond acceptors
- 10
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Max clinical phase
- Phase 2
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Mass
- 492.16
Show 3 more facts
- canonical SMILES
- CCC(C1=CC(=C(C(=C1)F)OC(=O)C)OC(=O)C)C(C)C2=CC(=C(C(=C2)F)OC(=O)C)OC(=O)C
- isomeric SMILES
- CC[C@@H](C1=CC(=C(C(=C1)F)OC(=O)C)OC(=O)C)[C@H](C)C2=CC(=C(C(=C2)F)OC(=O)C)OC(=O)C
- chemical formula
- C₂₅H₂₆F₂O₈
Sources (1)
via Wikidata · CC0
~1 min read
Encyclopedic overview
2 sectionsContents
- See also
- References
Acefluranol (developmental code name BX-591), also known as 2,3-bis(3,4-diacetoxy-5-fluorophenyl)pentane, is a nonsteroidal antiestrogen of the stilbestrol group that was never marketed.
==See also== Bifluranol Pentafluranol Terfluranol
Excerpted from Wikipedia’s “acefluranol” article, available under the CC BY-SA 4.0 licence.