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Details

Stereochemistry ACHIRAL
Molecular Formula C23H25FN4O3
Molecular Weight 424.468
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Paliperidone ketone

SMILES

CC1=C(CCN2CCC(CC2)C3=NOC4=C3C=CC(F)=C4)C(=O)N5CCCC(=O)C5=N1

InChI

InChIKey=AUSFXKQDZJPCTA-UHFFFAOYSA-N
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

HIDE SMILES / InChI

Molecular Formula C23H25FN4O3
Molecular Weight 424.468
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:44:05 UTC 2023
Edited
by admin
on Sat Dec 16 08:44:05 UTC 2023
Record UNII
17V05YK3XQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Paliperidone ketone
Common Name English
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-
Systematic Name English
PALIPERIDONE KETONE [USP IMPURITY]
Common Name English
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
Systematic Name English
KETO PALIPER
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID50659709
Created by admin on Sat Dec 16 08:44:05 UTC 2023 , Edited by admin on Sat Dec 16 08:44:05 UTC 2023
PRIMARY
PUBCHEM
44608359
Created by admin on Sat Dec 16 08:44:05 UTC 2023 , Edited by admin on Sat Dec 16 08:44:05 UTC 2023
PRIMARY
FDA UNII
17V05YK3XQ
Created by admin on Sat Dec 16 08:44:05 UTC 2023 , Edited by admin on Sat Dec 16 08:44:05 UTC 2023
PRIMARY
CAS
1189516-65-1
Created by admin on Sat Dec 16 08:44:05 UTC 2023 , Edited by admin on Sat Dec 16 08:44:05 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP