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

Details

Stereochemistry RACEMIC
Molecular Formula C19H18N4O6
Molecular Weight 398.3694
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NIFEDIPINE PYRIMIDINE

SMILES

COC(=O)C1=C(C)N[C@H](N[C@H]1C2=C(C=CC=C2)[N+]([O-])=O)C3=C(C=CC=C3)[N+]([O-])=O

InChI

InChIKey=AANAYIQNTXWIMX-ZWKOTPCHSA-N
InChI=1S/C19H18N4O6/c1-11-16(19(24)29-2)17(12-7-3-5-9-14(12)22(25)26)21-18(20-11)13-8-4-6-10-15(13)23(27)28/h3-10,17-18,20-21H,1-2H3/t17-,18+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
NIFEDIPINE PYRIMIDINE
Common Name English
NIFEDIPINE PYRIMIDINE IMPURITY
Common Name English
5-PYRIMIDINECARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-6-METHYL-2,4-BIS(2-NITROPHENYL)-, METHYL ESTER, CIS-(±)-
Systematic Name English
5-PYRIMIDINECARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-6-METHYL-2,4-BIS(2-NITROPHENYL)-, METHYL ESTER
Systematic Name English
5-PYRIMIDINECARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-6-METHYL-2,4-BIS(2-NITROPHENYL)-, METHYL ESTER, (2R,4R)-REL-
Systematic Name English
Code System Code Type Description
CAS
108139-78-2
Created by admin on Sat Dec 16 16:56:36 GMT 2023 , Edited by admin on Sat Dec 16 16:56:36 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
CAS
80742-11-6
Created by admin on Sat Dec 16 16:56:36 GMT 2023 , Edited by admin on Sat Dec 16 16:56:36 GMT 2023
PRIMARY
FDA UNII
EXL67I47IK
Created by admin on Sat Dec 16 16:56:36 GMT 2023 , Edited by admin on Sat Dec 16 16:56:36 GMT 2023
PRIMARY
PUBCHEM
15364971
Created by admin on Sat Dec 16 16:56:36 GMT 2023 , Edited by admin on Sat Dec 16 16:56:36 GMT 2023
PRIMARY