Azoxydapsone
Basic information
- CAS
35040-12-1- Standard SMILES
Nc1ccc(S(=O)(=O)c2ccc(N=[N+]([O-])c3ccc(S(=O)(=O)c4ccc(N)cc4)cc3)cc2)cc1- InChIKey
SMEWQWPADHSEIL-UHFFFAOYSA-N- Molecular formula
- C24H20N4O5S2
- Average molar mass
- 508.6 g/mol
- Monoisotopic mass
- 508.0875121
Names & identifiers
- Preferred name
- Azoxydapsone
- IUPAC
- [4-(4-aminophenyl)sulfonylphenyl]-[4-(4-aminophenyl)sulfonylphenyl]imino-oxidoazanium
- English name
- Azoxydapsone
- Molecular formula
- C24H20N4O5S2
- Molecular weight
- 508.57
Names & synonyms
Azoxydapsone35040-12-18Z632FNN6DUNII-8Z632FNN6D[4-(4-aminophenyl)sulfonylphenyl]-[4-(4-aminophenyl)sulfonylphenyl]imino-oxidoazaniumNSC 665549NSC-665549Benzenamine, 4,4'-(azoxybis(4,1-phenylenesulfonyl))bis-1,2-Bis(4-(4'-aminophenylsulfonylphenyl))diazine-1-oxideDapsone Azoxy DimerNSC665549CHEMBL1967332
Show more names
Benzenamine, 4,4'-[azoxybis(4,1-phenylenesulfonyl)]bis- (9CI)
DTXSID901025987KBA04012AKOS030254223AZOXYBENZENE, 4,4'-DISULFANILYL-NCI60_0226244,4'-BIS(P-AMINOBENZENESULFONYL)AZOXYBENZENEQ272712261,2-Bis(4-((4-aminophenyl)sulfonyl)phenyl)diazene 1-oxide
Database identifiers
- CAS
35040-12-1- PubChem CID
- 380146
- DTXSID
DTXSID901025987- ChEMBL
CHEMBL1967332- UNII
- 8Z632FNN6D
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 927
Physicochemical properties
- Melting point
- 276 °C · >276°C (dec.)
- Boiling point
- 806.7 · 806.7±75.0 °C(Predicted)
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- storage temp.
- Amber Vial, Refrigerator, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- color
- Yellow to Dark Yellow
- Stability
- Light sensitive
- FDA UNII
- 8 Z632FNN6D · 8Z632FNN6D
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesAzoxydapsone is a primary urinary N-oxidation metabolite of Dapsone (D193250); an antibacterial used in the treatment of dermatitis herpetiformis.
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Compound notes
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