5-((2-HYDROXY-2-METHYLPROPOXY)CARBONYL)-2-(HYDROXYMETHYL)-6-METHYL-4-(2-NITROPHENYL)NICOTINIC ACID

Stereochemistry	RACEMIC
Molecular Formula	C19H20N2O8
Molecular Weight	404.3707
Optical Activity	NONE
Additional Stereochemistry	Yes
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0
Stereo Comments	AXIAL, RACEMIC

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

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)

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 GMT 2023` Edited by `admin` on `Sat Dec 16 09:06:20 GMT 2023`
Record UNII	413B0ZXE2V
Record Status	`Validated (UNII)`
Record Version

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

PRIMARY

CAS

117173-16-7

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

PRIMARY

FDA UNII

413B0ZXE2V

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

PRIMARY

Related Record Type Details


					4I8HAB65SZ

PARENT -> METABOLITE

Comments:

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

Qualification:

PLASMA; URINE