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Details

Stereochemistry ACHIRAL
Molecular Formula C17H13N4O2.Na
Molecular Weight 328.3005
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)benzoic acid sodium

SMILES

[Na+].CC1=C(NC2=NC(=CC=N2)C3=CN=CC=C3)C=C(C=C1)C([O-])=O

InChI

InChIKey=BRJANHUNTACABP-UHFFFAOYSA-M
InChI=1S/C17H14N4O2.Na/c1-11-4-5-12(16(22)23)9-15(11)21-17-19-8-6-14(20-17)13-3-2-7-18-10-13;/h2-10H,1H3,(H,22,23)(H,19,20,21);/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 C17H13N4O2
Molecular Weight 305.3107
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 19:51:09 GMT 2025
Edited
by admin
on Wed Apr 02 19:51:09 GMT 2025
Record UNII
7DK4QB2TLP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzoic acid, 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-, sodium salt (1:1)
Preferred Name English
4-Methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)benzoic acid sodium
Systematic Name English
Code System Code Type Description
FDA UNII
7DK4QB2TLP
Created by admin on Wed Apr 02 19:51:09 GMT 2025 , Edited by admin on Wed Apr 02 19:51:09 GMT 2025
PRIMARY
CAS
1207060-52-3
Created by admin on Wed Apr 02 19:51:09 GMT 2025 , Edited by admin on Wed Apr 02 19:51:09 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE