phenazinium, 3-((4-((4-chloro-6-((3-phosphonophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)amino)-7-(ethyl((3-sulfophenyl)methyl)amino)-5-(4-methoxy-3-sulfophenyl)-, hydroxide, inner salt, ammonium sodium salt
Basic information
- CAS
97403-99-1- Standard SMILES
CCN(Cc1cccc(S(=O)(=O)[O-])c1)c1ccc2nc3ccc(Nc4ccc(Nc5nc(Cl)nc(Nc6cccc(P(=O)([O-])[O-])c6)n5)cc4S(=O)(=O)[O-])cc3[n+](-c3ccc(OC)c(S(=O)(=O)[O-])c3)c2c1.[NH4+].[NH4+].[Na+].[Na+]- InChIKey
FGICNNPADFVUAG-UHFFFAOYSA-L- Molecular formula
- C43H41ClN11Na2O13PS3
- Average molar mass
- 1,128.5 g/mol
- Monoisotopic mass
- 1,127.1268972
Names & identifiers
- Preferred name
- phenazinium, 3-((4-((4-chloro-6-((3-phosphonophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)amino)-7-(ethyl((3-sulfophenyl)methyl)amino)-5-(4-methoxy-3-sulfophenyl)-, hydroxide, inner salt, ammonium sodium salt
- IUPAC
- diazanium;disodium;5-[[4-chloro-6-(3-phosphonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[[8-[ethyl-[(3-sulfonatophenyl)methyl]amino]-10-(4-methoxy-3-sulfonatophenyl)phenazin-10-ium-2-yl]amino]benzenesulfonate
Names & synonyms
Phenazinium, 3-((4-((4-chloro-6-((3-phosphonophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)amino)-7-(ethyl((3-sulfophenyl)methyl)amino)-5-(4-methoxy-3-sulfophenyl)-, hydroxide, inner salt, ammonium sodium saltPhenazinium, 3-[[4-[[4-chloro-6-[(3-phosphonophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]amino]-7-[ethyl[(3-sulfophenyl)methyl]amino]-5-(4-methoxy-3-sulfophenyl)-, hydroxide, inner salt, ammonium sodium saltRefChem:860560306-761-8EINECS 306-761-897403-99-1DTXSID00242943Ammonium sodium 5-{[4-chloro-6-(3-phosphonatoanilino)-1,3,5-triazin-2-yl]amino}-2-{[8-{ethyl[(3-sulfonatophenyl)methyl]amino}-10-(4-methoxy-3-sulfonatophenyl)phenazin-10-ium-2-yl]amino}benzene-1-sulfonate (2/2/1)
Database identifiers
- CAS
97403-99-1- PubChem CID
- 44153170
- DTXSID
DTXSID00242943- EC Number
- 306-761-8
Properties
Computed structural properties
- Topological polar surface area
- 366 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 12
- Heavy atoms
- 74
- Formal charge
- 0
- Complexity
- 2,090
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: Phenazinium, 3-[[4-[[4-chloro-6-[(3-phosphonophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]amino]-7-[ethyl[(3-sulfophenyl)methyl]amino]-5-(4-methoxy-3-sulfophenyl)-, hydroxide, inner salt, ammonium sodium salt
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…