Basic information
- CAS
67827-64-9- Standard SMILES
CCn1c(O)c(CS(=O)(=O)[O-])c(C)c(N=Nc2cc(Nc3nc(Cl)nc(OC(C)C)n3)ccc2S(=O)(=O)[O-])c1=O.[Na+].[Na+]- InChIKey
CQAKGLGNTVIXJZ-JZYARHMISA-L- Molecular formula
- C21H22ClN7Na2O9S2
- Average molar mass
- 662 g/mol
- Monoisotopic mass
- 661.0404339
Names & identifiers
- Preferred name
- 3-Pyridinemethanesulfonic acid, 5-[2-[5-[[4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-, sodium salt (1:2)
- IUPAC
- disodium;4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-[[1-ethyl-6-hydroxy-4-methyl-2-oxo-5-(sulfonatomethyl)-3-pyridinyl]diazenyl]benzenesulfonate
- English name
- disodium 5-[[5-[[4-chloro-6-isopropoxy-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]azo]-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxopyridine-3-methanesulphonate
- Molecular formula
- C21H22ClN7Na2O9S2
- Molecular weight
- 662.00342
Names & synonyms
DTXSID508898623-Pyridinemethanesulfonic acid, 5-(2-(5-((4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-, sodium salt (1:2)3-Pyridinemethanesulfonic acid, 5-[2-[5-[[4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-, sodium salt (1:2)RefChem:505222DTXCID80103138367827-64-93-Pyridinemethanesulfonic acid, 5-((5-((4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-, disodium salt3-Pyridinemethanesulfonic acid, 5-[[5-[[4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-, disodium saltEINECS 267-228-2NS00054534Disodium 4-({4-chloro-6-[(propan-2-yl)oxy]-1,3,5-triazin-2-yl}amino)-2-{[1-ethyl-2-hydroxy-4-methyl-6-oxo-5-(sulfonatomethyl)-1,6-dihydropyridin-3-yl]diazenyl}benzene-1-sulfonate
Properties
Computed structural properties
- Topological polar surface area
- 256 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 8
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,240
Physicochemical properties
- EPA Substance Registry System
- 3 · 3-Pyridinemethanesulfonic acid, 5-[[5-[[4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-, disodium salt (67827-64-9)
- 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 Information3-Pyridinemethanesulfonic acid, 5-[2-[5-[[4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-, sodium salt (1:2): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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