Basic information
- CAS
42753-53-7- Standard SMILES
Cc1cccnc1NS(=O)(=O)c1ccc(N=Nc2ccc(O)c(C(=O)O)c2)cc1- InChIKey
FCAXOPILJFCPSY-UHFFFAOYSA-N- Molecular formula
- C19H16N4O5S
- Average molar mass
- 412.4 g/mol
- Monoisotopic mass
- 412.0841408
Names & identifiers
- Preferred name
- 2-Hydroxy-5-((4-(((3-methyl-2-pyridinyl)amino)sulfonyl)phenyl)azo)benzoic acid
- IUPAC
- 2-hydroxy-5-[[4-[(3-methyl-2-pyridinyl)sulfamoyl]phenyl]diazenyl]benzoic acid
- English name
- methylsulfasalazine
- Molecular formula
- C19H16N4O5S
- Molecular weight
- 412.42
Names & synonyms
Methylsulfasalazine42753-53-72-Hydroxy-5-((4-(((3-methyl-2-pyridinyl)amino)sulfonyl)phenyl)azo)benzoic acidCH 74ABRN 0459871MethylsalazosulfapyridineMethylsalazosulphapyridine3S85ALG7KA2-hydroxy-5-[[4-[(3-methylpyridin-2-yl)sulfamoyl]phenyl]diazenyl]benzoic acidBenzoic acid, 2-hydroxy-5-((4-(((3-methyl-2-pyridinyl)amino)sulfonyl)phenyl)azo)-5-(4-(3-methyl-2-pyridylsulfamoyl)phenylazo)salicylic acid2-Hydroxy-5-[2-[4-[[(3-methyl-2-pyridinyl)amino]sulfonyl]phenyl]diazenyl]benzoic acid
Show more names
Sulfasalazine 2-hydroxy-5-(-4-Sulfomoyl phenyl)-azo-benzoic acid
Benzoic acid, 2-hydroxy-5-[2-[4-[[(3-methyl-2-pyridinyl)amino]sulfonyl]phenyl]diazenyl]-
Database identifiers
- CAS
42753-53-7- PubChem CID
- 39254
- UNII
- 3S85ALG7KA
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 687
Chemistry & industry
Applications
DescriptionMethylsulfasalazine is a biochemical that may be useful in the treatment of rheumatoid arthritis.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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