9-OH-risperidone
Basic information
- CAS
147663-04-5- Standard SMILES
Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CC(O)CC2- InChIKey
ABWPQNZPAOAQSG-UHFFFAOYSA-N- Molecular formula
- C23H27FN4O3
- Average molar mass
- 426.5 g/mol
- Monoisotopic mass
- 426.2067189
Overview
7-Hydroxyrisperidone is a pyridopyrimidine.
Names & identifiers
- Preferred name
- 9-OH-risperidone
- IUPAC
- 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
- English name
- 7-Hydroxy risperidone
- Molecular formula
- C23H27FN4O3
- Molecular weight
- 426.48
Names & synonyms
9-OH-risperidone3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[2,1-b]pyrimidin-4-one3-(2-(4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl)ethyl)-7-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido(2,1-b)pyrimidin-4-oneRefChem:5498607-Hydroxy Risperidone147663-04-57-hydroxyrisperidone3-(2-(4-(6-Fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)ethyl)-7-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-oneMFCD080637013-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]ethyl]-7-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one3-[2-[4-(6-Fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl]ethyl]-7-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
Show more names
7-Hydroxy risperidone-d4Risperidone 7-Hydroxy Impurity7-HYDROXY RISPERIDONE USP/EP/BP3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-7-hydroxy-2-Methyl-
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 764
Physicochemical properties
- Melting point
- 151 · 151-153°C
- Boiling point
- 612.3 · 612.3±65.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 13.89 · 13.89±0.60(Predicted)
- color
- White
Chemistry & industry
Pharmacology
Metabolism/Metabolites9-Hydroxy-risperidone is a known human metabolite of risperidone.
Applications
UsesA metabolite of Risperidone, a combined serotonin (5-HT2) and dopamine (D2) receptor antagonist
UsesA metabolite of Risperidone (R525000), a combined serotonin (5-HT2) and dopamine (D2) receptor antagonist.
Additional notes
DefinitionChEBI: 7-Hydroxyrisperidone is a pyridopyrimidine.
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