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Details

Stereochemistry RACEMIC
Molecular Formula C19H20N2O7
Molecular Weight 388.372
Optical Activity NONE
Additional Stereochemistry Yes
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0
Stereo Comments AXIAL, RACEMIC

SHOW SMILES / InChI
Structure of 5-((2-HYDROXY-2-METHYLPROPOXY)CARBONYL)-2,6-DIMETHYL-4-(2-NITROPHENYL)NICOTINIC ACID

SMILES

Cc1c(c(-c2ccccc2N(=O)=O)c(c(C)n1)C(=O)OCC(C)(C)O)C(=O)O

InChI

InChIKey=MVVCNLDLEHBPJK-UHFFFAOYSA-N
InChI=1S/C19H20N2O7/c1-10-14(17(22)23)16(12-7-5-6-8-13(12)21(26)27)15(11(2)20-10)18(24)28-9-19(3,4)25/h5-8,25H,9H2,1-4H3,(H,22,23)

HIDE SMILES / InChI

Molecular Formula C19H20N2O7
Molecular Weight 388.372
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 07:48:24 UTC 2021
Edited
by admin
on Sat Jun 26 07:48:24 UTC 2021
Record UNII
1AXP276RGJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-((2-HYDROXY-2-METHYLPROPOXY)CARBONYL)-2,6-DIMETHYL-4-(2-NITROPHENYL)NICOTINIC ACID
Systematic Name English
3,5-PYRIDINEDICARBOXYLIC ACID, 2,6-DIMETHYL-4-(2-NITROPHENYL)-, 3-(2-HYDROXY-2-METHYLPROPYL) ESTER
Systematic Name English
NISOLDIPINE (M4)
Common Name English
Code System Code Type Description
PUBCHEM
9977556
Created by admin on Sat Jun 26 07:48:25 UTC 2021 , Edited by admin on Sat Jun 26 07:48:25 UTC 2021
PRIMARY
FDA UNII
1AXP276RGJ
Created by admin on Sat Jun 26 07:48:25 UTC 2021 , Edited by admin on Sat Jun 26 07:48:25 UTC 2021
PRIMARY
CAS
117191-84-1
Created by admin on Sat Jun 26 07:48:25 UTC 2021 , Edited by admin on Sat Jun 26 07:48:25 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Dehydrogenation step is catalyzed by the cytochrome P450 (CYP) 3A4 enzyme
PLASMA; URINE