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Risperidone Related Compound G

CAT: 1596-AR-R01699-06Size: 150Dry Ice: NoHazardous: No
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CAS Number
152542-00-2
Synonyms
3- (2- (4- (4-fluoro-2-hydroxybenzoyl) piperidin-1-yl) ethyl) -2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one; Risperidone 2-Hydroxybenzoyl Impurity
Molecular Formula
C23H28FN3O3
Molecular Weight
413.49
API Name
Risperidone

Chemical Information

3-(2-(4-(4-Fluoro-2-hydroxybenzoyl)piperidin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
CAS Number152542-00-2
PubChem CID71316832
IUPAC Name3-[2-[4-(4-fluoro-2-hydroxybenzoyl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Molecular FormulaC23H28FN3O3
Molecular Weight413.5
XLogP2.7
Topological Polar Surface Area73.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity742
SMILES
CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C(=O)C4=C(C=C(C=C4)F)O
InChI
InChI=1S/C23H28FN3O3/c1-15-18(23(30)27-10-3-2-4-21(27)25-15)9-13-26-11-7-16(8-12-26)22(29)19-6-5-17(24)14-20(19)28/h5-6,14,16,28H,2-4,7-13H2,1H3
InChIKey
JPJZOAXKSNJOGJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2-(4-(4-Fluoro-2-hydroxybenzoyl)piperidin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
CAS: 152542-00-2
CID: 71316832
Formula: C23H28FN3O3
MW: 413.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.5
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass413.21146993
Monoisotopic Mass413.21146993
Topological Polar Surface Area73.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity742
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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