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Details

Stereochemistry ACHIRAL
Molecular Formula C19H16N4O5S
Molecular Weight 412.419
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Methylsulfasalazine

SMILES

CC1=C(NS(=O)(=O)C2=CC=C(C=C2)\N=N\C3=CC=C(O)C(=C3)C(O)=O)N=CC=C1

InChI

InChIKey=FCAXOPILJFCPSY-QURGRASLSA-N
InChI=1S/C19H16N4O5S/c1-12-3-2-10-20-18(12)23-29(27,28)15-7-4-13(5-8-15)21-22-14-6-9-17(24)16(11-14)19(25)26/h2-11,24H,1H3,(H,20,23)(H,25,26)/b22-21+

HIDE SMILES / InChI

Molecular Formula C19H16N4O5S
Molecular Weight 412.419
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:23:41 UTC 2023
Edited
by admin
on Sat Dec 16 09:23:41 UTC 2023
Record UNII
3S85ALG7KA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methylsulfasalazine
Common Name English
Benzoic acid, 2-hydroxy-5-[2-[4-[[(3-methyl-2-pyridinyl)amino]sulfonyl]phenyl]diazenyl]-
Systematic Name English
2-Hydroxy-5-[2-[4-[[(3-methyl-2-pyridinyl)amino]sulfonyl]phenyl]diazenyl]benzoic acid
Systematic Name English
Code System Code Type Description
CAS
42753-53-7
Created by admin on Sat Dec 16 09:23:41 UTC 2023 , Edited by admin on Sat Dec 16 09:23:41 UTC 2023
PRIMARY
PUBCHEM
6519667
Created by admin on Sat Dec 16 09:23:41 UTC 2023 , Edited by admin on Sat Dec 16 09:23:41 UTC 2023
PRIMARY
FDA UNII
3S85ALG7KA
Created by admin on Sat Dec 16 09:23:41 UTC 2023 , Edited by admin on Sat Dec 16 09:23:41 UTC 2023
PRIMARY
Related Record Type Details
METABOLIC ENZYME -> SUBSTRATE
TARGET -> INHIBITOR
Inhibits translocation into nucleus
Related Record Type Details
METABOLITE ACTIVE -> PARENT
METABOLITE INACTIVE -> PARENT
Assumed from SULFASALAZINE
Related Record Type Details
ACTIVE MOIETY