Fluoromoxestrol
Basic information
- CAS
142154-95-8- Standard SMILES
C#C[C@]1(O)[C@H](F)C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3[C@@H](OC)C[C@@]21C- InChIKey
UPCVHECNLOMHQH-WYLBFHJUSA-N- Molecular formula
- C21H25FO3
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.17877282
Overview
RN given refers to (11beta,16alpha,17alpha)-isomer; structure given in first source
Names & identifiers
- Preferred name
- Fluoromoxestrol
- IUPAC
- (8S,9S,11S,13S,14S,16R,17R)-17-ethynyl-16-fluoro-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
- English name
- fluoromoxestrol
- Molecular formula
- C21H25FO3
- Molecular weight
- 344.4198032
Names & synonyms
Fluoromoxestrol142154-95-8RefChem:14095516 beta-(18F)fluoromoxestrol16beta-(18F)FluoromoxestrolDTXSID5093137016-Fluoro-11-methoxy-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol16alpha-Fluoro-11beta-methoxy-17alpha-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, 16-fluoro-11-methoxy-, (11beta,16alpha,17alpha)-Fluoroestradiol Impurity 1
Database identifiers
- CAS
142154-95-8- PubChem CID
- 126629
- DTXSID
DTXSID50931370
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 585
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Related reactions
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Compound notes
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