3,5-Bis[2-[methyl(phenylmethyl)amino]ethyl] 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C35H40N4O6
Molecular Weight	612.7153
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,5-Bis[2-[methyl(phenylmethyl)amino]ethyl] 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate

Structure Search

SMILES

CN(CCOC(=O)C1=C(C)NC(C)=C(C1C2=CC=CC(=C2)[N+]([O-])=O)C(=O)OCCN(C)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChIKey=IBSBJKKZJRFYFN-UHFFFAOYSA-N

InChI=1S/C35H40N4O6/c1-25-31(34(40)44-20-18-37(3)23-27-12-7-5-8-13-27)33(29-16-11-17-30(22-29)39(42)43)32(26(2)36-25)35(41)45-21-19-38(4)24-28-14-9-6-10-15-28/h5-17,22,33,36H,18-21,23-24H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C35H40N4O6
Molecular Weight	612.7153
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 `Mon Mar 31 23:34:36 GMT 2025` Edited by `admin` on `Mon Mar 31 23:34:36 GMT 2025`
Record UNII	WJF4EY9GVU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,5-Bis[2-[methyl(phenylmethyl)amino]ethyl] 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate

Systematic Name

English

XE-820

Preferred Name

English

NICARDIPINE BIS ANALOG

Common Name

English

3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, bis[2-[methyl(phenylmethyl)amino]ethyl] ester

Systematic Name

English

Code System Code Type Description

PUBCHEM

194412

Created by admin on Mon Mar 31 23:34:36 GMT 2025 , Edited by admin on Mon Mar 31 23:34:36 GMT 2025

PRIMARY

EPA CompTox

DTXSID80222006

Created by admin on Mon Mar 31 23:34:36 GMT 2025 , Edited by admin on Mon Mar 31 23:34:36 GMT 2025

PRIMARY

FDA UNII

WJF4EY9GVU

Created by admin on Mon Mar 31 23:34:36 GMT 2025 , Edited by admin on Mon Mar 31 23:34:36 GMT 2025

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CAS

71791-90-7

Created by admin on Mon Mar 31 23:34:36 GMT 2025 , Edited by admin on Mon Mar 31 23:34:36 GMT 2025

PRIMARY

Related Record Type Details


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Bis(2-(benzyl(methyl)amino)ethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate dihydrochloride

SALT/SOLVATE -> PARENT

Amount: