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4H-Pyrido(1,2-a)pyrimidin-4-one, 3-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)-6,7,8,9-tetrahydro-2-methyl-, hydrochloride (1:1)

HCID 9889802
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Basic information

CAS
666179-74-4
Standard SMILES
Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2.Cl
InChIKey
OCBZQKQWVUTYDN-UHFFFAOYSA-N
Molecular formula
C23H28ClFN4O2
Average molar mass
446.9 g/mol
Monoisotopic mass
446.188482

Names & identifiers

Preferred name
4H-Pyrido(1,2-a)pyrimidin-4-one, 3-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)-6,7,8,9-tetrahydro-2-methyl-, hydrochloride (1:1)
IUPAC
3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride
English name
Risperidone (hydrochloride)
Molecular formula
C23H28ClFN4O2
Molecular weight
446.9454232

Names & synonyms

666179-74-44H-Pyrido[1,2-a]pyrimidin-4-one, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-, hydrochloride (1:1)4H-Pyrido(1,2-a)pyrimidin-4-one, 3-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)-6,7,8,9-tetrahydro-2-methyl-, hydrochloride (1:1)RefChem:1072047Risperidone hydrochlorideRisperidone (hydrochloride)R 64 766 hydrochlorideRisperidone HClorb1687383SCHEMBL5774262OCBZQKQWVUTYDN-UHFFFAOYSA-NRBB17974
Show more names
Risperidone hydrochloride (Apexidone3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
HY-11018ACS-1927DA-77480T626613-(2-(4-(6-Fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one hydrochloride3-(2-(4-(6-Fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-onehydrochloride3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride

Database identifiers

CAS
666179-74-4
PubChem CID
9889802
EC Number
927-421-0

Properties

Computed structural propertiesFilling in

Topological polar surface area
61.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
31
Formal charge
0
Complexity
731

Physicochemical properties

storage temp.
-20 °C · Store at -20°C
solubility
Soluble in DMSO
form
Powder

Chemistry & industry

Applications

UsesRisperidone hydrochloride (R 64 766 hydrochloride) 5-HT2 receptor blocker, P-Glycoprotein inhibitor and potent dopamine D2 receptor antagonist, with Kis of 4.8, 5.9 nM for 5-HT2A and dopamine D2 receptor, respectively.

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