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Details

Stereochemistry ACHIRAL
Molecular Formula C16H14N3O4.Na
Molecular Weight 335.2898
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium 1-(6-methoxy-1H-benzo[d]imidazol-2-yl)-3,5-dimethyl-4-oxo-1,4-dihydropyridine-2-carboxylate

SMILES

[Na+].COC1=CC2=C(NC(=N2)N3C=C(C)C(=O)C(C)=C3C([O-])=O)C=C1

InChI

InChIKey=IFLHORKOMQAVDD-UHFFFAOYSA-M
InChI=1S/C16H15N3O4.Na/c1-8-7-19(13(15(21)22)9(2)14(8)20)16-17-11-5-4-10(23-3)6-12(11)18-16;/h4-7H,1-3H3,(H,17,18)(H,21,22);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C16H14N3O4
Molecular Weight 312.3001
Charge -1
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 21:17:51 GMT 2025
Edited
by admin
on Wed Apr 02 21:17:51 GMT 2025
Record UNII
M954SP9W4U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Sodium 1-(6-methoxy-1H-benzo[d]imidazol-2-yl)-3,5-dimethyl-4-oxo-1,4-dihydropyridine-2-carboxylate
Systematic Name English
2-Pyridinecarboxylic acid, 1,4-dihydro-1-(6-methoxy-1H-benzimidazol-2-yl)-3,5-dimethyl-4-oxo-, sodium salt (1:1)
Preferred Name English
Code System Code Type Description
PUBCHEM
137347424
Created by admin on Wed Apr 02 21:17:52 GMT 2025 , Edited by admin on Wed Apr 02 21:17:52 GMT 2025
PRIMARY
FDA UNII
M954SP9W4U
Created by admin on Wed Apr 02 21:17:52 GMT 2025 , Edited by admin on Wed Apr 02 21:17:52 GMT 2025
PRIMARY
CAS
3049389-33-2
Created by admin on Wed Apr 02 21:17:52 GMT 2025 , Edited by admin on Wed Apr 02 21:17:52 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE