5-((2-HYDROXY-2-METHYLPROPOXY)CARBONYL)-2,6-DIMETHYL-4-(2-NITROPHENYL)NICOTINIC ACID

Stereochemistry	RACEMIC
Molecular Formula	C19H20N2O7
Molecular Weight	388.3713
Optical Activity	NONE
Additional Stereochemistry	Yes
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0
Stereo Comments	AXIAL, RACEMIC

CC1=NC(C)=C(C(O)=O)C(C2=C(C=CC=C2)[N+]([O-])=O)=C1C(=O)OCC(C)(C)O

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)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:06:20 UTC 2023` Edited by `admin` on `Sat Dec 16 09:06:20 UTC 2023`
Record UNII	1AXP276RGJ
Record Status	`Validated (UNII)`
Record Version

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 Dec 16 09:06:20 UTC 2023 , Edited by admin on Sat Dec 16 09:06:20 UTC 2023

PRIMARY

FDA UNII

1AXP276RGJ

Created by admin on Sat Dec 16 09:06:20 UTC 2023 , Edited by admin on Sat Dec 16 09:06:20 UTC 2023

PRIMARY

CAS

117191-84-1

Created by admin on Sat Dec 16 09:06:20 UTC 2023 , Edited by admin on Sat Dec 16 09:06:20 UTC 2023

PRIMARY

Related Record Type Details


					4I8HAB65SZ

PARENT -> METABOLITE

Comments:

Dehydrogenation step is catalyzed by the cytochrome P450 (CYP) 3A4 enzyme

Qualification:

PLASMA; URINE