U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C24H27FN4O4
Molecular Weight 454.4949
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(2-METHYL-4-OXO-6,7,8,9-TETRAHYDRO-4H-PYRIDO(1,2-A)PYRIMIDIN-3-YL)ETHYL 4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)PIPERIDIN-1-CARBOXYLATE

SMILES

Cc1c(CCOC(=O)N2CCC(CC2)c3c4ccc(cc4on3)F)c(=O)n5CCCCc5n1

InChI

InChIKey=XDVWOEVAHOSPOO-UHFFFAOYSA-N
InChI=1S/C24H27FN4O4/c1-15-18(23(30)29-10-3-2-4-21(29)26-15)9-13-32-24(31)28-11-7-16(8-12-28)22-19-6-5-17(25)14-20(19)33-27-22/h5-6,14,16H,2-4,7-13H2,1H3

HIDE SMILES / InChI

Molecular Formula C24H27FN4O4
Molecular Weight 454.4949
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 00:17:54 UTC 2021
Edited
by admin
on Sat Jun 26 00:17:54 UTC 2021
Record UNII
EI7XU336W2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(2-METHYL-4-OXO-6,7,8,9-TETRAHYDRO-4H-PYRIDO(1,2-A)PYRIMIDIN-3-YL)ETHYL 4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)PIPERIDIN-1-CARBOXYLATE
Systematic Name English
1-PIPERIDINECARBOXYLIC ACID, 4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)-, 2-(6,7,8,9-TETRAHYDRO-2-METHYL-4-OXO-4H-PYRIDO(1,2-A)PYRIMIDIN-3-YL)ETHYL ESTER
Systematic Name English
RISPERIDONE IMPURITY F [EP]
Common Name English
Code System Code Type Description
FDA UNII
EI7XU336W2
Created by admin on Sat Jun 26 00:17:54 UTC 2021 , Edited by admin on Sat Jun 26 00:17:54 UTC 2021
PRIMARY
PUBCHEM
71752085
Created by admin on Sat Jun 26 00:17:54 UTC 2021 , Edited by admin on Sat Jun 26 00:17:54 UTC 2021
PRIMARY
CAS
1346603-86-8
Created by admin on Sat Jun 26 00:17:54 UTC 2021 , Edited by admin on Sat Jun 26 00:17:54 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
UNSPECIFIED
EP