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Risperidone Impurity 37

CAT: 1299-RM-R191637-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R191637-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1346606-24-3
Synonyms
3- (2- (4- ((4-fluoro-2- (4- (6-fluorobenzo[d]isoxazol-3-yl) piperidin-1-yl) phenyl) (hydroxyimino) methyl) piperidin-1-yl) ethyl) -2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
Molecular Formula
C35H40F2N6O3
Molecular Weight
630.74
Target Alternative Name
Risperidone
Product Name Synonym
3- (2- (4- ((4-fluoro-2- (4- (6-fluorobenzo[d]isoxazol-3-yl) piperidin-1-yl) phenyl) (hydroxyimino) methyl) piperidin-1-yl) ethyl) -2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one

Chemical Information

3-(2-(4-((Z)-(4-Fluoro-2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl)phenyl)(hydroxyimino)methyl)piperidin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido(1,2-a)pyrimidin-4-one
CAS Number1346606-24-3
PubChem CID72942023
IUPAC Name3-[2-[4-[(Z)-C-[4-fluoro-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]phenyl]-N-hydroxycarbonimidoyl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Molecular FormulaC35H40F2N6O3
Molecular Weight630.7
XLogP5
Topological Polar Surface Area97.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count46
Formal Charge0
Complexity1200
SMILES
CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)/C(=N/O)/C4=C(C=C(C=C4)F)N5CCC(CC5)C6=NOC7=C6C=CC(=C7)F
InChI
InChI=1S/C35H40F2N6O3/c1-22-27(35(44)43-14-3-2-4-32(43)38-22)13-17-41-15-9-23(10-16-41)33(39-45)28-7-5-25(36)20-30(28)42-18-11-24(12-19-42)34-29-8-6-26(37)21-31(29)46-40-34/h5-8,20-21,23-24,45H,2-4,9-19H2,1H3/b39-33-
InChIKey
GQIQUGILXGRQGO-SCURRHDHSA-N
Chemical Structure
2D Structure
2D structure of 3-(2-(4-((Z)-(4-Fluoro-2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl)phenyl)(hydroxyimino)methyl)piperidin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido(1,2-a)pyrimidin-4-one
CAS: 1346606-24-3
CID: 72942023
Formula: C35H40F2N6O3
MW: 630.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight630.7
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass630.31299548
Monoisotopic Mass630.31299548
Topological Polar Surface Area97.8 Ų
Heavy Atom Count46
Formal Charge0
Complexity1200
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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