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Details

Stereochemistry RACEMIC
Molecular Formula C20H22N2O7
Molecular Weight 402.3987
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 DESISOBUTYL-(2-HYDROXY-2-METHYLPROPYL)-DEHYDRO NISOLDIPINE

SMILES

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

InChI

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

HIDE SMILES / InChI

Molecular Formula C20H22N2O7
Molecular Weight 402.3987
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 01:44:41 UTC 2021
Edited
by admin
on Sat Jun 26 01:44:41 UTC 2021
Record UNII
1389F118LV
Record Status Validated (UNII)
Record Version
  • Download
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 Jun 26 01:44:42 UTC 2021 , Edited by admin on Sat Jun 26 01:44:42 UTC 2021
PRIMARY
FDA UNII
1389F118LV
Created by admin on Sat Jun 26 01:44:41 UTC 2021 , Edited by admin on Sat Jun 26 01:44:41 UTC 2021
PRIMARY
CAS
117173-14-5
Created by admin on Sat Jun 26 01:44:41 UTC 2021 , Edited by admin on Sat Jun 26 01:44:41 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Dehydrogenation step is catalyzed by the cytochrome P450 (CYP) 3A4 enzyme
PLASMA