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Details

Stereochemistry RACEMIC
Molecular Formula C19H20N2O8
Molecular Weight 404.3714
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-(HYDROXYMETHYL)-6-METHYL-4-(2-NITROPHENYL)NICOTINIC ACID

SMILES

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

InChI

InChIKey=RFCISRUPLFRQOY-UHFFFAOYSA-N
InChI=1S/C19H20N2O8/c1-10-14(18(25)29-9-19(2,3)26)15(16(17(23)24)12(8-22)20-10)11-6-4-5-7-13(11)21(27)28/h4-7,22,26H,8-9H2,1-3H3,(H,23,24)

HIDE SMILES / InChI

Molecular Formula C19H20N2O8
Molecular Weight 404.3714
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 04:18:06 UTC 2021
Edited
by admin
on Sat Jun 26 04:18:06 UTC 2021
Record UNII
413B0ZXE2V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-((2-HYDROXY-2-METHYLPROPOXY)CARBONYL)-2-(HYDROXYMETHYL)-6-METHYL-4-(2-NITROPHENYL)NICOTINIC ACID
Systematic Name English
3,5-PYRIDINEDICARBOXYLIC ACID, 2-(HYDROXYMETHYL)-6-METHYL-4-(2-NITROPHENYL)-, 5-(2-HYDROXY-2-METHYLPROPYL) ESTER
Systematic Name English
NISOLDIPINE (M5)
Common Name English
Code System Code Type Description
PUBCHEM
91668156
Created by admin on Sat Jun 26 04:18:06 UTC 2021 , Edited by admin on Sat Jun 26 04:18:06 UTC 2021
PRIMARY
CAS
117173-16-7
Created by admin on Sat Jun 26 04:18:06 UTC 2021 , Edited by admin on Sat Jun 26 04:18:06 UTC 2021
PRIMARY
FDA UNII
413B0ZXE2V
Created by admin on Sat Jun 26 04:18:06 UTC 2021 , Edited by admin on Sat Jun 26 04:18:06 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Dehydrogenation step is catalyzed by the cytochrome P450 (CYP) 3A4 enzyme
PLASMA; URINE