BENIDIPINE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C28H31N3O6
Molecular Weight	505.5622
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BENIDIPINE

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]3CCCN(CC4=CC=CC=C4)C3

InChI

InChIKey=QZVNQOLPLYWLHQ-ZEQKJWHPSA-N

InChI=1S/C28H31N3O6/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20/h4-7,9-12,15,23,26,29H,8,13-14,16-17H2,1-3H3/t23-,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H31N3O6
Molecular Weight	505.5622
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 `Fri Dec 15 17:40:17 UTC 2023` Edited by `admin` on `Fri Dec 15 17:40:17 UTC 2023`
Record UNII	4G9T91JS7E
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BENIDIPINE

Official Name

English

Benidipine [WHO-DD]

Common Name

English

BENIDIPINE [MI]

Common Name

English

(±)-(R*)-3-((R*)-1-BENZYL-3-PIPERIDYL) METHYL 1,4-DIHYDRO-2,6-DIMETHYL-4-(M-NITROPHENYL)-3,5-PYRIDINEDICARBOXYLATE

Systematic Name

English

(±)-2,6-DIMETHYL-4-(3-NITROPHENYL)-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLIC ACID-3-(1-BENZYL-3-PIPERIDYL) ESTER-5-METHYL ESTER

Common Name

English

benidipine [INN]

Common Name

English

(4R)-REL-1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-3,5-PYRIDINEDICARBOXYLIC ACID METHYL (3R)-1-(PHENYLMETHYL)-3-PIPERIDINYL ESTER

Common Name

English

Classification Tree Code System Code

WHO-VATC

QC08CA15

Created by admin on Fri Dec 15 17:40:17 UTC 2023 , Edited by admin on Fri Dec 15 17:40:17 UTC 2023

NCI_THESAURUS

C333

Created by admin on Fri Dec 15 17:40:17 UTC 2023 , Edited by admin on Fri Dec 15 17:40:17 UTC 2023

WHO-ATC

C08CA15

Created by admin on Fri Dec 15 17:40:17 UTC 2023 , Edited by admin on Fri Dec 15 17:40:17 UTC 2023

Code System Code Type Description

NCI_THESAURUS

C81680

Created by admin on Fri Dec 15 17:40:17 UTC 2023 , Edited by admin on Fri Dec 15 17:40:17 UTC 2023

PRIMARY

CAS

105979-17-7

Created by admin on Fri Dec 15 17:40:17 UTC 2023 , Edited by admin on Fri Dec 15 17:40:17 UTC 2023

PRIMARY

FDA UNII

4G9T91JS7E

Created by admin on Fri Dec 15 17:40:17 UTC 2023 , Edited by admin on Fri Dec 15 17:40:17 UTC 2023

PRIMARY

INN

6137

Created by admin on Fri Dec 15 17:40:17 UTC 2023 , Edited by admin on Fri Dec 15 17:40:17 UTC 2023

PRIMARY

DRUG CENTRAL

3880

Created by admin on Fri Dec 15 17:40:17 UTC 2023 , Edited by admin on Fri Dec 15 17:40:17 UTC 2023

PRIMARY

EPA CompTox

DTXSID0022648

Created by admin on Fri Dec 15 17:40:17 UTC 2023 , Edited by admin on Fri Dec 15 17:40:17 UTC 2023

PRIMARY

MERCK INDEX

m2315

Created by admin on Fri Dec 15 17:40:17 UTC 2023 , Edited by admin on Fri Dec 15 17:40:17 UTC 2023

PRIMARY

Merck Index

MESH

C061004

Created by admin on Fri Dec 15 17:40:17 UTC 2023 , Edited by admin on Fri Dec 15 17:40:17 UTC 2023

PRIMARY

SMS_ID

100000086351

Created by admin on Fri Dec 15 17:40:17 UTC 2023 , Edited by admin on Fri Dec 15 17:40:17 UTC 2023

PRIMARY

EVMPD

SUB05719MIG

Created by admin on Fri Dec 15 17:40:17 UTC 2023 , Edited by admin on Fri Dec 15 17:40:17 UTC 2023

PRIMARY

PUBCHEM

656668

Created by admin on Fri Dec 15 17:40:17 UTC 2023 , Edited by admin on Fri Dec 15 17:40:17 UTC 2023

PRIMARY

ChEMBL

CHEMBL2218858

Created by admin on Fri Dec 15 17:40:17 UTC 2023 , Edited by admin on Fri Dec 15 17:40:17 UTC 2023

PRIMARY

WIKIPEDIA

BENIDIPINE

Created by admin on Fri Dec 15 17:40:17 UTC 2023 , Edited by admin on Fri Dec 15 17:40:17 UTC 2023

PRIMARY

DRUG BANK

DB09231

Created by admin on Fri Dec 15 17:40:17 UTC 2023 , Edited by admin on Fri Dec 15 17:40:17 UTC 2023

PRIMARY

Related Record Type Details


					805SU96HKF

CYTOCHROME P450 3A5

METABOLIC ENZYME -> SUBSTRATE


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MAJOR


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					0A6746FWDL

BENIDIPINE HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Related Record Type Details


					I5C99QX6T3

N-DESBENZYLBENIDIPINE

METABOLITE -> PARENT

Comments:

IN VITRO

Related Record Type Details


					4G9T91JS7E

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC				ORAL ADMINISTRATION