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1020719-76-9,MFCD07369642
Catalog No.:AA0006HH
1020719-76-9 | 4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl-1,1,2,2-d4]-6,7,8,9-tetrahydro-2-methyl-
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1mg
≥99% deuterated forms (d1-d4)
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Technical Information
Catalog Number:
AA0006HH
Chemical Name:
4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl-1,1,2,2-d4]-6,7,8,9-tetrahydro-2-methyl-
CAS Number:
1020719-76-9
Molecular Formula:
C23H23D4FN4O2
Molecular Weight:
414.5091
MDL Number:
MFCD07369642
IUPAC Name:
2-methyl-3-[1,1,2,2-tetradeuterio-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
InChI:
InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3/i9D2,13D2
InChI Key:
RAPZEAPATHNIPO-RIEWMPPISA-N
SMILES:
Fc1ccc2c(c1)onc2C1CCN(CC1)C(C(c1c(C)nc2n(c1=O)CCCC2)([2H])[2H])([2H])[2H]
Properties
Computed Properties
 
Complexity:
731  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.237g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
4  
Molecular Weight:
414.518g/mol
Monoisotopic Mass:
414.237g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
61.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Synonyms
 
Risperidone-d4 
1020719-76-9 
3-{2-[4-(6-Fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl](~2~H_4_)ethyl}-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one 
4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl-1,1,2,2-d4]-6,7,8,9-tetrahydro-2-methyl- 
Risperidone-D4 solution, 100 mug/mL in methanol, ampule of 1 mL, certified reference material 
Risperidone D4 
CS-O-06930 
Risperidone - d4 
CTK8G2970 
DTXSID60649398 
AKOS025147391 
FT-0674432 
J-000613 
3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl-1,1,2,2-d4]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one 
3-[2-4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one-d4 
Literature
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