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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H18N2O6.ClH
Molecular Weight 382.796
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NIFEDIPINE HYDROCHLORIDE

SMILES

Cl.COC(=O)C1=C(C)NC(C)=C(C1C2=CC=CC=C2[N+]([O-])=O)C(=O)OC

InChI

InChIKey=ISQGFMPRCDAJRT-UHFFFAOYSA-N
InChI=1S/C17H18N2O6.ClH/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23;/h5-8,15,18H,1-4H3;1H

HIDE SMILES / InChI

Molecular Formula C17H18N2O6
Molecular Weight 346.3346
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
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 Fri Dec 15 19:39:25 UTC 2023
Edited
by admin
on Fri Dec 15 19:39:25 UTC 2023
Record UNII
9626V3KSPM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NIFEDIPINE HYDROCHLORIDE
Common Name English
CORACTEN XL
Brand Name English
3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,6-DIMETHYL-4-(2-NITROPHENYL)-, 3,5-DIMETHYL ESTER, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
CAS
60299-11-8
Created by admin on Fri Dec 15 19:39:25 UTC 2023 , Edited by admin on Fri Dec 15 19:39:25 UTC 2023
PRIMARY
PUBCHEM
63011
Created by admin on Fri Dec 15 19:39:25 UTC 2023 , Edited by admin on Fri Dec 15 19:39:25 UTC 2023
PRIMARY
FDA UNII
9626V3KSPM
Created by admin on Fri Dec 15 19:39:25 UTC 2023 , Edited by admin on Fri Dec 15 19:39:25 UTC 2023
PRIMARY
EPA CompTox
DTXSID90209045
Created by admin on Fri Dec 15 19:39:25 UTC 2023 , Edited by admin on Fri Dec 15 19:39:25 UTC 2023
PRIMARY
ECHA (EC/EINECS)
262-148-4
Created by admin on Fri Dec 15 19:39:25 UTC 2023 , Edited by admin on Fri Dec 15 19:39:25 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY