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Details

Stereochemistry RACEMIC
Molecular Formula C21H25N3O6
Molecular Weight 415.4405
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DESBENZYLBENIDIPINE

SMILES

CC1=C([C@@]([H])(c2cccc(c2)N(=O)=O)C(=C(C)N1)C(=O)O[C@]3([H])CCCNC3)C(=O)OC

InChI

InChIKey=DKQAXNFZGYGGHH-VQIMIIECSA-N
InChI=1S/C21H25N3O6/c1-12-17(20(25)29-3)19(14-6-4-7-15(10-14)24(27)28)18(13(2)23-12)21(26)30-16-8-5-9-22-11-16/h4,6-7,10,16,19,22-23H,5,8-9,11H2,1-3H3/t16-,19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H25N3O6
Molecular Weight 415.4405
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 14:13:18 UTC 2021
Edited
by admin
on Sat Jun 26 14:13:18 UTC 2021
Record UNII
I5C99QX6T3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-DESBENZYLBENIDIPINE
Common Name English
3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-, METHYL 3-PIPERIDINYL ESTER, (R*,R*)-
Systematic Name English
Code System Code Type Description
CAS
758642-28-3
Created by admin on Sat Jun 26 14:13:18 UTC 2021 , Edited by admin on Sat Jun 26 14:13:18 UTC 2021
PRIMARY
FDA UNII
I5C99QX6T3
Created by admin on Sat Jun 26 14:13:18 UTC 2021 , Edited by admin on Sat Jun 26 14:13:18 UTC 2021
PRIMARY
PUBCHEM
13390522
Created by admin on Sat Jun 26 14:13:18 UTC 2021 , Edited by admin on Sat Jun 26 14:13:18 UTC 2021
PRIMARY
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