Basic information
- CAS
75198-92-4- Standard SMILES
COCCOc1nc(Cl)nc(NCc2cc(C)cc(S(=O)(=O)[O-])c2Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)n1.[Na+].[Na+]- InChIKey
PICWZTBMIQPVRH-UHFFFAOYSA-L- Molecular formula
- C28H23ClN6Na2O10S2
- Average molar mass
- 749.1 g/mol
- Monoisotopic mass
- 748.0400996
Names & identifiers
- Preferred name
- 2-Anthracenesulfonic acid, 1-amino-4-((2-(((4-chloro-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl)amino)methyl)-4-methyl-6-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)
- IUPAC
- disodium;1-amino-4-[2-[[[4-chloro-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]amino]methyl]-4-methyl-6-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate
- English name
- disodium 1-amino-4-[[2-[[[4-chloro-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]amino]methyl]-4-methyl-6-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate
- Molecular formula
- C28H23ClN6Na2O10S2
- Molecular weight
- 749.07896
Names & synonyms
75198-92-4EINECS 278-102-1DTXSID508902712-Anthracenesulfonic acid, 1-amino-4-((2-(((4-chloro-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl)amino)methyl)-4-methyl-6-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, disodium salt1-Amino-4-((2-(((2-chloro-4-(2-methoxyethoxy)-1,3,5-triazin-6-yl)amino)methyl)-4-methyl-6-sulfophenyl)amino)-2-anthraquinonesulfonic acid, disodium salt2-Anthracenesulfonic acid, 1-amino-4-((2-(((4-chloro-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl)amino)methyl)-4-methyl-6-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)2-Anthracenesulfonic acid, 1-amino-4-[[2-[[[4-chloro-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]amino]methyl]-4-methyl-6-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, disodium salt2-Anthracenesulfonic acid, 1-amino-4-[[2-[[[4-chloro-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]amino]methyl]-4-methyl-6-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)RefChem:85433DTXCID401079208
Properties
Computed structural properties
- Topological polar surface area
- 273 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 9
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,320
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Anthracenesulfonic acid, 1-amino-4-[[2-[[[4-chloro-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]amino]methyl]-4-methyl-6-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, disodium salt (75198-92-4)
- 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.
Hazard information
Regulatory InformationChemical: 2-Anthracenesulfonic acid, 1-amino-4-[[2-[[[4-chloro-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]amino]methyl]-4-methyl-6-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, disodium salt
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Anthracenesulfonic acid, 1-amino-4-[[2-[[[4-chloro-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]amino]methyl]-4-methyl-6-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:2): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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