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Paliperidone Impurity F

CAT: 1596-AR-P01099-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P01099-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1380413-60-4
Synonyms
3- (2- (4- (benzo[d]isoxazol-3-yl) piperidin-1-yl) ethyl) -9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one; Defluoro Paliperidone
Molecular Formula
C23H28N4O3
Molecular Weight
408.5
API Name
Paliperidone

Chemical Information

Defluoro Paliperidone
CAS Number1380413-60-4
PubChem CID131667424
IUPAC Name3-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Molecular FormulaC23H28N4O3
Molecular Weight408.5
XLogP2.1
Topological Polar Surface Area82.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity728
SMILES
CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)C4=NOC5=CC=CC=C54
InChI
InChI=1S/C23H28N4O3/c1-15-17(23(29)27-11-4-6-19(28)22(27)24-15)10-14-26-12-8-16(9-13-26)21-18-5-2-3-7-20(18)30-25-21/h2-3,5,7,16,19,28H,4,6,8-14H2,1H3
InChIKey
UAXLESNKOBLMFG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Defluoro Paliperidone
CAS: 1380413-60-4
CID: 131667424
Formula: C23H28N4O3
MW: 408.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.5
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass408.21614077
Monoisotopic Mass408.21614077
Topological Polar Surface Area82.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity728
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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