Basic information
- CAS
113948-68-8- Standard SMILES
CC[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@H]1C(=O)C[18F]- InChIKey
XVMNSRXVKUOGOY-RBWILZAPSA-N- Molecular formula
- C22H31FO2
- Average molar mass
- 345.5 g/mol
- Monoisotopic mass
- 345.233343
Names & identifiers
- Preferred name
- KU87YJ5Vbl
- IUPAC
- (8R,9S,10R,13S,14S,16R,17S)-16-ethyl-17-(2-(18F)fluoroacetyl)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Names & synonyms
18F FenpFenp F-18KU87YJ5VBLUNII-KU87YJ5VBL19-Norpregn-4-ene-3,20-dione, 16-ethyl-21-(fluoro-18F)-, (16alpha)-113948-68-8CHEMBL2311088MOLI000147
Database identifiers
- CAS
113948-68-8- PubChem CID
- 449750
- ChEMBL
CHEMBL2311088- UNII
- KU87YJ5VBL
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 609
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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