Ortho-hydroxy-pimavanserin
Basic information
- CAS
1246458-11-6- Standard SMILES
CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1O- InChIKey
ZHTTYJZQOLKORM-UHFFFAOYSA-N- Molecular formula
- C25H34FN3O3
- Average molar mass
- 443.6 g/mol
- Monoisotopic mass
- 443.25842012
Names & identifiers
- Preferred name
- Ortho-hydroxy-pimavanserin
- IUPAC
- 1-[(4-fluorophenyl)methyl]-3-[[3-hydroxy-4-(2-methylpropoxy)phenyl]methyl]-1-(1-methylpiperidin-4-yl)urea
Names & synonyms
Ortho-hydroxy-pimavanserin3G87G7SN88AC-620Pimavanserin metabolite (ac-260620)UNII-3G87G7SN88AC-2606201246458-11-61-((4-Fluorophenyl)methyl)-3-((3-hydroxy-4-isobutoxy-phenyl)methyl)-1-(1-methyl-4-piperidyl)ureaUrea, N-((4-fluorophenyl)methyl)-N'-((3-hydroxy-4-(2-methylpropoxy)phenyl)methyl)-N-(1-methyl-4-piperidinyl)-SCHEMBL3714271
Database identifiers
- CAS
1246458-11-6- PubChem CID
- 46935339
- UNII
- 3G87G7SN88
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 563
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Compound notes
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