ChemicalBook--->CAS DataBase List--->1189516-65-1

1189516-65-1

1189516-65-1 Structure

1189516-65-1 Structure
IdentificationBack Directory
[Name]

9-Keto Risperidone
[CAS]

1189516-65-1
[Synonyms]

9-Keto Risperidone (90%)
paliperidon Impurity 3
Risperidone 9-Oxo Impurity
Paliperidone 9-one impurity
Paliperidone 9-Keto Impurity/ Impurity E
Paliperidone Impurity 2(9-Keto Paliperidone)
Paliperidone 9-Keto Impurity (Mixture of Tautomeric Isomers)
Paliperidone 9-Keto Impurity (9-Keto Risperidone/ 9-Oxo Risperidone)
9-Keto Risperidone/ 9-Oxo Risperidone (Paliperidone 9-Keto Impurity)
3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione
3-(2-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)ethyl)-2-methyl-7,8-dihydro-4H-pyrido[1,2-a]pyrimidine-4,9(6H)-dione
3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-7,8-dihydro-2-Methyl-4H-pyrido[1,2-a]pyriMidine-4,9(6H)-dione
4H-Pyrido[1,2-a]pyrimidine-4,9(6H)-dione, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-7,8-dihydro-2-methyl-
Paliperidone impurity 11/Paliperidone 9-Keto Impurity/3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-7,8-dihydro-2-methyl-4H-pyrido[1,2-a]pyrimidine-4,9(6H)-dione
[Molecular Formula]

C23H25FN4O3
[MDL Number]

MFCD23160663
[MOL File]

1189516-65-1.mol
[Molecular Weight]

424.47
Chemical PropertiesBack Directory
[Melting point ]

58-62°C
[Boiling point ]

594.7±60.0 °C(Predicted)
[density ]

1.44±0.1 g/cm3(Predicted)
[storage temp. ]

Hygroscopic, -20°C Freezer, Under Inert Atmosphere
[solubility ]

Chloroform (Slightly), Methanol (Very Slightly)
[form ]

Solid
[pka]

8.02±0.10(Predicted)
[color ]

Yellow to Dark Orange
[Stability:]

Hygroscopic
[InChI]

InChI=1S/C23H25FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15H,2-3,6-12H2,1H3
[InChIKey]

AUSFXKQDZJPCTA-UHFFFAOYSA-N
[SMILES]

C12C(=O)CCCN1C(=O)C(CCN1CCC(C3C4=C(ON=3)C=C(F)C=C4)CC1)=C(C)N=2
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard InformationBack Directory
[Chemical Properties]

Yellow to Orange Solid
[Uses]

Risperidone (R525000) impurity.
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