Basic information
- CAS
72152-62-6- Standard SMILES
Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1Nc1cc(OCC(O)COS(=O)(=O)[O-])c(N)c2c1C(=O)c1ccccc1C2=O.[Na+].[Na+]- InChIKey
GFQNVNHHOAYNSO-UHFFFAOYSA-L- Molecular formula
- C26H24N2Na2O11S2
- Average molar mass
- 650.6 g/mol
- Monoisotopic mass
- 650.0616905
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 3-((4-amino-9,10-dihydro-3-(2-hydroxy-3-(sulfooxy)propoxy)-9,10-dioxo-1-anthracenyl)amino)-2,4,6-trimethyl-, sodium salt (1:2)
- IUPAC
- disodium;3-[[4-amino-3-(2-hydroxy-3-sulfonatooxypropoxy)-9,10-dioxoanthracen-1-yl]amino]-2,4,6-trimethylbenzenesulfonate
- English name
- disodium 3-[[4-amino-9,10-dihydro-3-[2-hydroxy-3-(sulphonatooxy)propoxy]-9,10-dioxo-1-anthryl]amino]-2,4,6-trimethylbenzenesulphonate
- Molecular formula
- C26H24N2Na2O11S2
- Molecular weight
- 650.5851
Names & synonyms
72152-62-6EINECS 276-415-8DTXSID10890196Benzenesulfonic acid, 3-((4-amino-9,10-dihydro-3-(2-hydroxy-3-(sulfooxy)propoxy)-9,10-dioxo-1-anthracenyl)amino)-2,4,6-trimethyl-, disodium saltBenzenesulfonic acid, 3-((4-amino-9,10-dihydro-3-(2-hydroxy-3-(sulfooxy)propoxy)-9,10-dioxo-1-anthracenyl)amino)-2,4,6-trimethyl-, sodium salt (1:2)Benzenesulfonic acid, 3-[[4-amino-9,10-dihydro-3-[2-hydroxy-3-(sulfooxy)propoxy]-9,10-dioxo-1-anthracenyl]amino]-2,4,6-trimethyl-, disodium saltBenzenesulfonic acid, 3-[[4-amino-9,10-dihydro-3-[2-hydroxy-3-(sulfooxy)propoxy]-9,10-dioxo-1-anthracenyl]amino]-2,4,6-trimethyl-, sodium salt (1:2)RefChem:117868DTXCID501079120GFQNVNHHOAYNSO-UHFFFAOYSA-LNS00062196Disodium 3-((4-amino-9,10-dihydro-3-(2-hydroxy-3-(sulphonatooxy)propoxy)-9,10-dioxo-1-anthryl)amino)-2,4,6-trimethylbenzenesulphonate
Show more names
disodium 3-[[4-amino-9,10-dihydro-3-[2-hydroxy-3-(sulphonatooxy)propoxy]-9,10-dioxo-1-anthryl]amino]-2,4,6-trimethylbenzenesulphonate
Properties
Computed structural properties
- Topological polar surface area
- 242 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 7
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,160
Physicochemical properties
- EPA Substance Registry System
- 3 · Benzenesulfonic acid, 3-[[4-amino-9,10-dihydro-3-[2-hydroxy-3-(sulfooxy)propoxy]-9,10-dioxo-1-anthracenyl]amino]-2,4,6-trimethyl-, disodium salt (72152-62-6)
- 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: Benzenesulfonic acid, 3-[[4-amino-9,10-dihydro-3-[2-hydroxy-3-(sulfooxy)propoxy]-9,10-dioxo-1-anthracenyl]amino]-2,4,6-trimethyl-, 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 InformationBenzenesulfonic acid, 3-[[4-amino-9,10-dihydro-3-[2-hydroxy-3-(sulfooxy)propoxy]-9,10-dioxo-1-anthracenyl]amino]-2,4,6-trimethyl-, sodium salt (1:2): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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