Estr-4-en-3-one, 17-(fluoro-18F-methyl)-17-hydroxy-7-methyl-, (7alpha,17beta)-
Basic information
- CAS
133083-42-8- Standard SMILES
C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)C[18F])[C@@H]21- InChIKey
RIUMYCCCNLGPAG-OYXLNOHGSA-N- Molecular formula
- C20H29FO2
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.217692
Overview
structure given in first source; positron-emitting radiotracer for androgen receptors
Names & identifiers
- Preferred name
- Estr-4-en-3-one, 17-(fluoro-18F-methyl)-17-hydroxy-7-methyl-, (7alpha,17beta)-
- IUPAC
- (7R,8R,9S,10R,13S,14S,17S)-17-((18F)fluoromethyl)-17-hydroxy-7,13-dimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
- English name
- 20-fluoromibolerone
- Molecular formula
- C20H29FO2
- Molecular weight
- 320.4414632
Names & synonyms
20-FluoromiboleroneF-Mib133083-42-8Estr-4-en-3-one, 17-(fluoro-18F-methyl)-17-hydroxy-7-methyl-, (7alpha,17beta)-RefChem:89562DTXSID60927926FF7731317-[(~18~F)Fluoromethyl]-17-hydroxy-7-methylestr-4-en-3-one17alpha-[(~18~F)Fluoromethyl]-17beta-hydroxy-7alpha-methylestr-4-en-3-one
Database identifiers
- CAS
133083-42-8- PubChem CID
- 124254
- DTXSID
DTXSID60927926
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 556
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Related reactions
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Compound notes
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