Basic information
- CAS
72829-12-0- Standard SMILES
Cc1cc(N=Nc2ccc(S(=O)(=O)[O-])cc2)c(N)c(N=Nc2ccc(NC(=O)c3ccc(N=Nc4ccc(O)c(C(=O)[O-])c4)cc3)cc2)c1N.[Na+].[Na+]- InChIKey
IDQIUSUZMLRVBZ-UHFFFAOYSA-L- Molecular formula
- C33H25N9Na2O7S
- Average molar mass
- 737.7 g/mol
- Monoisotopic mass
- 737.13930391
Names & identifiers
- Preferred name
- Benzoic acid, 5-[2-[4-[[[4-[2-[2,6-diamino-3-methyl-5-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]amino]carbonyl]phenyl]diazenyl]-2-hydroxy-, sodium salt (1:2)
- IUPAC
- disodium;5-[[4-[[4-[[2,6-diamino-3-methyl-5-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]carbamoyl]phenyl]diazenyl]-2-hydroxybenzoate
- English name
- disodium 5-[[4-[[[4-[[2,6-diamino-3-methyl-5-[(4-sulphonatophenyl)azo]phenyl]azo]phenyl]amino]carbonyl]phenyl]azo]salicylate
- Molecular formula
- C33H25N9Na2O7S
- Molecular weight
- 737.65224
Names & synonyms
72829-12-0DTXSID60890121EINECS 276-904-6Benzoic acid, 5-((4-(((4-((2,6-diamino-3-methyl-5-((4-sulfophenyl)azo)phenyl)azo)phenyl)amino)carbonyl)phenyl)azo)-2-hydroxy-, disodium saltBenzoic acid, 5-(2-(4-(((4-(2-(2,6-diamino-3-methyl-5-(2-(4-sulfophenyl)diazenyl)phenyl)diazenyl)phenyl)amino)carbonyl)phenyl)diazenyl)-2-hydroxy-, sodium salt (1:2)Benzoic acid, 5-[2-[4-[[[4-[2-[2,6-diamino-3-methyl-5-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]amino]carbonyl]phenyl]diazenyl]-2-hydroxy-, sodium salt (1:2)Benzoic acid, 5-[[4-[[[4-[[2,6-diamino-3-methyl-5-[(4-sulfophenyl)azo]phenyl]azo]phenyl]amino]carbonyl]phenyl]azo]-2-hydroxy-, disodium saltRefChem:118484DTXCID701079045Disodium 5-((4-(((4-((2,6-diamino-3-methyl-5-((4-sulphonatophenyl)azo)phenyl)azo)phenyl)amino)carbonyl)phenyl)azo)salicylateNS00090701Disodium 5-[(4-{[4-({2,6-diamino-3-methyl-5-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)phenyl]carbamoyl}phenyl)diazenyl]-2-hydroxybenzoate
Properties
Computed structural properties
- Topological polar surface area
- 281 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 8
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,320
Physicochemical properties
- EPA Substance Registry System
- 5 · Benzoic acid, 5-[[4-[[[4-[[2,6-diamino-3-methyl-5-[(4-sulfophenyl)azo]phenyl]azo]phenyl]amino]carbonyl]phenyl]azo]-2-hydroxy-, disodium salt (72829-12-0)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 5-[2-[4-[[[4-[2-[2,6-diamino-3-methyl-5-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]amino]carbonyl]phenyl]diazenyl]-2-hydroxy-, sodium salt (1:2): INACTIVE
Suppliers1 total
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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