N-DESBENZYLBENIDIPINE

Details

Stereochemistry	RACEMIC
Molecular Formula	C21H25N3O6
Molecular Weight	415.4397
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)C1=C(C)NC(C)=C([C@@H]1C2=CC(=CC=C2)[N+]([O-])=O)C(=O)O[C@@H]3CCCNC3

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	415.4397
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 Dec 16 15:46:20 GMT 2023` Edited by `admin` on `Sat Dec 16 15:46:20 GMT 2023`
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 Dec 16 15:46:20 GMT 2023 , Edited by admin on Sat Dec 16 15:46:20 GMT 2023

PRIMARY

FDA UNII

I5C99QX6T3

Created by admin on Sat Dec 16 15:46:20 GMT 2023 , Edited by admin on Sat Dec 16 15:46:20 GMT 2023

PRIMARY

PUBCHEM

13390522

Created by admin on Sat Dec 16 15:46:20 GMT 2023 , Edited by admin on Sat Dec 16 15:46:20 GMT 2023

PRIMARY

Related Record Type Details


					4G9T91JS7E

BENIDIPINE

PARENT -> METABOLITE

Comments:

IN VITRO