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Risperidone Impurity 16

CAT: 1596-AR-R11042-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-R11042-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1569268-43-4
Molecular Formula
C23H28N4O4
Molecular Weight
424.50
API Name
Risperidone

Chemical Information

9-hydroxy-3-(2-(4-(6-hydroxybenzo[d]isoxazol-3-yl)piperidin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
CAS Number1569268-43-4
PubChem CID136633865
IUPAC Name9-hydroxy-3-[2-[4-(6-hydroxy-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Molecular FormulaC23H28N4O4
Molecular Weight424.5
XLogP1.7
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity761
SMILES
CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)O
InChI
InChI=1S/C23H28N4O4/c1-14-17(23(30)27-9-2-3-19(29)22(27)24-14)8-12-26-10-6-15(7-11-26)21-18-5-4-16(28)13-20(18)31-25-21/h4-5,13,15,19,28-29H,2-3,6-12H2,1H3
InChIKey
IEWYEZCPBJZIFB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-hydroxy-3-(2-(4-(6-hydroxybenzo[d]isoxazol-3-yl)piperidin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
CAS: 1569268-43-4
CID: 136633865
Formula: C23H28N4O4
MW: 424.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.5
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass424.21105539
Monoisotopic Mass424.21105539
Topological Polar Surface Area102 Ų
Heavy Atom Count31
Formal Charge0
Complexity761
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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