Basic information
- CAS
94153-50-1- Standard SMILES
[11CH3]N1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O- InChIKey
QHJLPOSPWKZACG-BJUDXGSMSA-N- Molecular formula
- C24H28FN3O2
- Average molar mass
- 408.5 g/mol
- Monoisotopic mass
- 408.2279879
Names & identifiers
- Preferred name
- Mespiperone (11C)
- IUPAC
- 8-[4-(4-fluorophenyl)-4-oxobutyl]-3-(111C)methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Names & synonyms
Mespiperone C 11Mespiperone (11C)mespiperone c-11Mespiperone C 11 [USAN:USP](11C)-N-MethylspiperoneUNII-703G4LHV4V703G4LHV4VCarbon (11c) mespiperoneMespiperone ((sup 11)C)Mespiperone (11C) [INN]94153-50-11,3,8-Triazaspiro(45)decan-4-one, 8-(4-(4-fluorophenyl)-4-oxobutyl)-3-(methyl-11C)-1-phenyl-
Show more names
8-(3-(p-Fluorobenzoyl)propyl)-3-((sup 11)C)methyl-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one8-(3-(p-Fluorobenzoyl)propyl)-3-((sup 11)C)methyl-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one.Mespiperone C 11 [USAN]Mespiperona (11c)3-N-[11C]Methylspiperone[11C]NMSPCHEMBL2106948DTXSID70240810
Database identifiers
- CAS
94153-50-1- PubChem CID
- 449759
- DTXSID
DTXSID70240810- ChEMBL
CHEMBL2106948- UNII
- 703G4LHV4V
- Nikkaji
- J2.272.116J
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 606
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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