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5-Fluoro paliperidone-d4

CAT: 0926-WDC60273-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-WDC60273-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1346602-73-0
Smiles
CC1=C (C (=O) N2CCCC (C2=N1) O) CCN3CCC (CC3) C4=NOC5=C4C=C (C=C5) F
Molecular Formula
C23H27FN4O3
Molecular Weight
430.5 g/mol
Controlled
No

Chemical Information

5-Fluoro Paliperidone-d4
CAS Number1346602-73-0
PubChem CID71316850
IUPAC Name9-hydroxy-2-methyl-3-[1,1,2,2-tetradeuterio-2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Molecular FormulaC23H27FN4O3
Molecular Weight430.5
XLogP2.2
Topological Polar Surface Area82.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity764
SMILES
[2H]C([2H])(C1=C(N=C2C(CCCN2C1=O)O)C)C([2H])([2H])N3CCC(CC3)C4=NOC5=C4C=C(C=C5)F
InChI
InChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-13-16(24)4-5-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3/i8D2,12D2
InChIKey
SVATZOFABXGUAB-FJVJJXCISA-N
Chemical Structure
2D Structure
2D structure of 5-Fluoro Paliperidone-d4
CAS: 1346602-73-0
CID: 71316850
Formula: C23H27FN4O3
MW: 430.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.5
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass430.23182588
Monoisotopic Mass430.23182588
Topological Polar Surface Area82.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity764
Isotope Atom Count4
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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