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Details

Stereochemistry ACHIRAL
Molecular Formula C22H20N4O8S
Molecular Weight 500.481
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 5-[[4-[(3-aminobenzoyl)amino]-5-methoxy-O-tolyl]azo]-3-sulfosalicylic acid

SMILES

COC1=C(NC(=O)C2=CC(N)=CC=C2)C=C(C)C(=C1)\N=N\C3=CC(=C(O)C(=C3)C(O)=O)S(O)(=O)=O

InChI

InChIKey=BUQAUTCFQDXNMT-OCEACIFDSA-N
InChI=1S/C22H20N4O8S/c1-11-6-17(24-21(28)12-4-3-5-13(23)7-12)18(34-2)10-16(11)26-25-14-8-15(22(29)30)20(27)19(9-14)35(31,32)33/h3-10,27H,23H2,1-2H3,(H,24,28)(H,29,30)(H,31,32,33)/b26-25+

HIDE SMILES / InChI

Approval Year

Name Type Language
5-[[4-[(3-aminobenzoyl)amino]-5-methoxy-O-tolyl]azo]-3-sulfosalicylic acid
Systematic Name English
Benzoic acid, 5-[2-[4-[(3-aminobenzoyl)amino]-5-methoxy-2-methylphenyl]diazenyl]-2-hydroxy-3-sulfo-
Systematic Name English
5-[2-[4-[(3-Aminobenzoyl)amino]-5-methoxy-2-methylphenyl]diazenyl]-2-hydroxy-3-sulfobenzoic acid
Systematic Name English
Code System Code Type Description
CAS
84912-16-3
Created by admin on Sat Dec 16 20:22:08 GMT 2023 , Edited by admin on Sat Dec 16 20:22:08 GMT 2023
PRIMARY
FDA UNII
S5GCC7JM6J
Created by admin on Sat Dec 16 20:22:08 GMT 2023 , Edited by admin on Sat Dec 16 20:22:08 GMT 2023
PRIMARY