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Details

Stereochemistry RACEMIC
Molecular Formula C26H29N3O6.ClH
Molecular Weight 515.986
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Methyl 5-[2-[methyl(phenylmethyl)amino]ethyl] 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate hydrochloride

SMILES

Cl.COC(=O)C1=C(C)NC(C)=C(C1C2=C(C=CC=C2)[N+]([O-])=O)C(=O)OCCN(C)CC3=CC=CC=C3

InChI

InChIKey=NSIVIOANOCHROG-UHFFFAOYSA-N
InChI=1S/C26H29N3O6.ClH/c1-17-22(25(30)34-4)24(20-12-8-9-13-21(20)29(32)33)23(18(2)27-17)26(31)35-15-14-28(3)16-19-10-6-5-7-11-19;/h5-13,24,27H,14-16H2,1-4H3;1H

HIDE SMILES / InChI

Molecular Formula C26H29N3O6
Molecular Weight 479.525
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:30:59 GMT 2025
Edited
by admin
on Wed Apr 02 19:30:59 GMT 2025
Record UNII
3GGY427DSF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Methyl 5-[2-[methyl(phenylmethyl)amino]ethyl] 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate hydrochloride
Systematic Name English
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, 3-methyl 5-[2-[methyl(phenylmethyl)amino]ethyl] ester, hydrochloride
Preferred Name English
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, methyl 2-[methyl(phenylmethyl)amino]ethyl ester, monohydrochloride
Common Name English
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, 3-methyl 5-[2-[methyl(phenylmethyl)amino]ethyl] ester, hydrochloride (1:1)
Systematic Name English
5-O-[2-[benzyl(methyl)amino]ethyl] 3-O-methyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride
Common Name English
Code System Code Type Description
CAS
63125-24-6
Created by admin on Wed Apr 02 19:30:59 GMT 2025 , Edited by admin on Wed Apr 02 19:30:59 GMT 2025
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FDA UNII
3GGY427DSF
Created by admin on Wed Apr 02 19:30:59 GMT 2025 , Edited by admin on Wed Apr 02 19:30:59 GMT 2025
PRIMARY
PUBCHEM
68147140
Created by admin on Wed Apr 02 19:30:59 GMT 2025 , Edited by admin on Wed Apr 02 19:30:59 GMT 2025
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