Basic information
- CAS
40016-88-4- Standard SMILES
COc1cc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)nc(OC)n1- InChIKey
UJOBTXCMEZUYTO-UHFFFAOYSA-N- Molecular formula
- C19H17N5O7S
- Average molar mass
- 459.4 g/mol
- Monoisotopic mass
- 459.08486907
Names & identifiers
- Preferred name
- Salazodimethoxine
- IUPAC
- 5-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]diazenyl]-2-hydroxybenzoic acid
- English name
- SALAZODIMETHOXINE
- Molecular formula
- C19H17N5O7S
- Molecular weight
- 459.43
Names & synonyms
Salazodimethoxine40016-88-4M41HNFZ9DV5-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]diazenyl]-2-hydroxybenzoic acid5-(n-(N-(2,4-Dimethoxypyrimidinyl-6)sulfonamido)phenylazo)salicylic acidSalasodimethoxineBenzoic acid, 5-((4-(((2,6-dimethoxy-4-pyrimidinyl)amino)sulfonyl)phenyl)azo)-2-hydroxy-UNII-M41HNFZ9DVSALAZODIMETHOXINE [WHO-DD]AKOS0159956285-(2-(4-(((2,6-DIMETHOXY-4-PYRIMIDINYL)AMINO)SULFONYL)PHENYL)DIAZENYL)-2-HYDROXYBENZOIC ACIDBENZOIC ACID, 5-(2-(4-(((2,6-DIMETHOXY-4-PYRIMIDINYL)AMINO)SULFONYL)PHENYL)DIAZENYL)-2-HYDROXY-
Show more names
5-[(4-{[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)diazenyl]-2-hydroxybenzoic acidBenzoic acid, 5-[2-[4-[[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl]phenyl]diazenyl]-2-hydroxy-
Database identifiers
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 754
Physicochemical properties
- Melting point
- 222 · 222-223 °C(Solv: acetic acid (64-19-7))
- Boiling point
- 747.7 · 747.7±70.0 °C(Predicted)
- Density
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- pka
- 2.69 · 2.69±0.10(Predicted)
- FDA UNII
- 41 HNFZ9DV · M41HNFZ9DV
Chemistry & industry
Suppliers1 total
ARONIS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…