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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H14N2O7
Molecular Weight 346.2916
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYDROXYDEHYDRO NIFEDIPINE CARBOXYLATE

SMILES

COC(=O)C1=C(C)N=C(CO)C(C(O)=O)=C1C2=C(C=CC=C2)[N+]([O-])=O

InChI

InChIKey=ARDQNVJJIRIJPD-UHFFFAOYSA-N
InChI=1S/C16H14N2O7/c1-8-12(16(22)25-2)13(14(15(20)21)10(7-19)17-8)9-5-3-4-6-11(9)18(23)24/h3-6,19H,7H2,1-2H3,(H,20,21)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
HYDROXYDEHYDRO NIFEDIPINE CARBOXYLATE
Common Name English
4-(2'-NITROPHENYL)-2-HYDROXYMETHYL-5-METHOXYCARBONYL-6-METHYL-PYRIDINE-3-CARBOXYLIC ACID
Systematic Name English
3,5-PYRIDINEDICARBOXYLIC ACID, 2-(HYDROXYMETHYL)-6-METHYL-4-(2-NITROPHENYL)-, 5-METHYL ESTER
Common Name English
Code System Code Type Description
CAS
34783-31-8
Created by admin on Sat Dec 16 15:01:33 UTC 2023 , Edited by admin on Sat Dec 16 15:01:33 UTC 2023
PRIMARY
EPA CompTox
DTXSID70544729
Created by admin on Sat Dec 16 15:01:33 UTC 2023 , Edited by admin on Sat Dec 16 15:01:33 UTC 2023
PRIMARY
PUBCHEM
13599653
Created by admin on Sat Dec 16 15:01:33 UTC 2023 , Edited by admin on Sat Dec 16 15:01:33 UTC 2023
PRIMARY
FDA UNII
X84A812XXO
Created by admin on Sat Dec 16 15:01:33 UTC 2023 , Edited by admin on Sat Dec 16 15:01:33 UTC 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966