ELGODIPINE HYDROCHLORIDE

Details

Stereochemistry	RACEMIC
Molecular Formula	C29H33FN2O6.ClH
Molecular Weight	561.041
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CC(C)OC(=O)C1=C(C)NC(C)=C(C1C2=C3OCOC3=CC=C2)C(=O)OCCN(C)CC4=CC=C(F)C=C4

InChI

InChIKey=JBKDMKOYLBVOOR-UHFFFAOYSA-N

InChI=1S/C29H33FN2O6.ClH/c1-17(2)38-29(34)25-19(4)31-18(3)24(26(25)22-7-6-8-23-27(22)37-16-36-23)28(33)35-14-13-32(5)15-20-9-11-21(30)12-10-20;/h6-12,17,26,31H,13-16H2,1-5H3;1H

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C29H33FN2O6
Molecular Weight	524.5805
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/1796916 | https://www.ncbi.nlm.nih.gov/pubmed/7996428 | https://adisinsight.springer.com/drugs/800000324

Elgodipine (IQB-875, CAS 119413-55-7) is a phenyldihydropyridine derivative acting as a calcium channel antagonist. Elgodipine inhibited both T- and L-type calcium channels in a concentration-dependent manner. Elgodipine was in clinical trials for the treatment of cardiovascular diseases however its development has been discontinued.

Originator

Approval Year

PubMed

Title	Date	PubMed
Cardiovascular effects of elgodipine and nifedipine compared in anaesthetized rats.	1997 Sep 24	9369373

Patents

Sample Use Guides

In Vivo Use Guide

Pharmacokinetic study: elgodipine was given as continuous infusion at various rates (5, 10, 15, 20, 40 microg/kg/h for 48, 48, 48, 24, or 6 h, respectively) to five groups of 6-12 healthy male subjects (total 42).

Route of Administration: Intravenous

In Vitro Use Guide

Elgodipine inhibited both T- and L-type calcium channels in a concentration-dependent manner. Half-inhibitions of T- and L-type calcium channel current were obtained at concentrations of 32 and 2.3 nM, respectively.

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:56:16 GMT 2023` Edited by `admin` on `Fri Dec 15 15:56:16 GMT 2023`
Record UNII	MIR106H7SI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ELGODIPINE HYDROCHLORIDE

Common Name

English

2-((P-FLUOROBENZYL)METHYLAMINO)ETHYL ISOPROPYL (±)- 1,4-DIHYDRO-2,6-DIMETHYL-4-(2,3-(METHYLENEDIOXY)PHENYL)-3,5-PYRIDINEDICARBOXYLATE HYDROCHLORIDE

Common Name

English

ELGODIPINE HYDROCHLORIDE [MI]

Common Name

English

IQB-875

Code

English

3,5-PYRIDINEDICARBOXYLIC ACID, 4-(1,3-BENZODIOXOL-4-YL)-1,4-DIHYDRO-2,6-DIMETHYL-, 3-(2-(((4-FLUOROPHENYL)METHYL)METHYLAMINO)ETHYL) 5-(1-METHYLETHYL) ESTER, HYDROCHLORIDE (1:1)

Common Name

English

3,5-PYRIDINEDICARBOXYLIC ACID, 4-(1,3-BENZODIOXOL-4-YL)-1,4-DIHYDRO-2,6-DIMETHYL-, 2-(((4-FLUOROPHENYL)METHYL)METHYLAMINO)ETHYL 1-METHYLETHYL ESTER, MONOHYDROCHLORIDE

Common Name

English

Code System Code Type Description

CAS

121489-04-1