Basic information
- Standard SMILES
Cc1nc2n(c(=O)c1CCN1CCC(C(=NO)c3ccc(F)cc3F)CC1)CCCC2- InChIKey
BRCINVRBDDVLDW-UHFFFAOYSA-N- Molecular formula
- C23H28F2N4O2
- Average molar mass
- 430.5 g/mol
Names & identifiers
- Preferred name
- Risperidal iMpurity B
- IUPAC
- 3-[2-[4-[C-(2,4-difluorophenyl)-N-hydroxycarbonimidoyl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Names & synonyms
158697-66-6Risperidal iMpurity B3-(2-(4-((2,4-Difluorophenyl)(hydroxyimino)methyl)piperidin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-oneSCHEMBL5261135BRCINVRBDDVLDW-UHFFFAOYSA-NAKOS030242669Risperidone EP Impurity A and B(Mixture of E and Z Isomers)3-[2-[4-[(2,4-difluorophenyl)-(hydroxyimino)-methyl]-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Database identifiers
- PubChem CID
- 71433889
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 774
Related reactions
6 records
Compound notes
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