DESISOBUTYL-(2-HYDROXY-2-METHYLPROPYL)-DEHYDRO NISOLDIPINE

Stereochemistry	RACEMIC
Molecular Formula	C20H22N2O7
Molecular Weight	402.3979
Optical Activity	NONE
Additional Stereochemistry	Yes
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0
Stereo Comments	AXIAL, RACEMIC

COC(=O)C1=C(C)N=C(C)C(C(=O)OCC(C)(C)O)=C1C2=C(C=CC=C2)[N+]([O-])=O

InChIKey=VGHZPGANWLJLMC-UHFFFAOYSA-N

InChI=1S/C20H22N2O7/c1-11-15(18(23)28-5)17(13-8-6-7-9-14(13)22(26)27)16(12(2)21-11)19(24)29-10-20(3,4)25/h6-9,25H,10H2,1-5H3

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 09:05:15 GMT 2023` Edited by `admin` on `Sat Dec 16 09:05:15 GMT 2023`
Record UNII	1389F118LV
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

DESISOBUTYL-(2-HYDROXY-2-METHYLPROPYL)-DEHYDRO NISOLDIPINE

Common Name

English

3,5-PYRIDINEDICARBOXYLIC ACID, 2,6-DIMETHYL-4-(2-NITROPHENYL)-, 3-(2-HYDROXY-2-METHYLPROPYL) 5-METHYL ESTER

Systematic Name

English

NISOLDIPINE (M10)

Common Name

English

Code System Code Type Description

PUBCHEM

91668155

Created by admin on Sat Dec 16 09:05:15 GMT 2023 , Edited by admin on Sat Dec 16 09:05:15 GMT 2023

PRIMARY

FDA UNII

1389F118LV

Created by admin on Sat Dec 16 09:05:15 GMT 2023 , Edited by admin on Sat Dec 16 09:05:15 GMT 2023

PRIMARY

CAS

117173-14-5

Created by admin on Sat Dec 16 09:05:15 GMT 2023 , Edited by admin on Sat Dec 16 09:05:15 GMT 2023

PRIMARY

Related Record Type Details


					4I8HAB65SZ

PARENT -> METABOLITE

Comments:

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

Qualification:

PLASMA