Basic information
- CAS
70236-50-9- Standard SMILES
Nc1c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2ccc(N=Nc3c([O-])cc(S(=O)(=O)[O-])c4cc(Nc5nc(Cl)nc(Cl)c5Cl)ccc34)c([O-])c12.[Cu+2].[Na+].[Na+].[Na+]- InChIKey
YSBZELBTZGEHTJ-UHFFFAOYSA-I- Molecular formula
- C24H10Cl3CuN6O11S3.3Na
- Average molar mass
- 893.4 g/mol
- Monoisotopic mass
- 890.762432
Names & identifiers
- Preferred name
- Cuprate(3-), [4-amino-5-(hydroxy-kappaO)-6-[2-[2-(hydroxy-kappaO)-4-sulfo-6-[(2,5,6-trichloro-4-pyrimidinyl)amino]-1-naphthalenyl]diazenyl-kappaN1]-1,3-naphthalenedisulfonato(5-)]-, sodium (1:3)
- IUPAC
- copper;trisodium;4-amino-5-oxido-6-[[2-oxido-4-sulfonato-6-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalen-1-yl]diazenyl]naphthalene-1,3-disulfonate
Names & synonyms
Cuprate(3-), (4-amino-5-(hydroxy-kappaO)-6-(2-(2-(hydroxy-kappaO)-4-sulfo-6-((2,5,6-trichloro-4-pyrimidinyl)amino)-1-naphthalenyl)diazenyl-kappaN1)-1,3-naphthalenedisulfonato(5-))-, sodium (1:3)Cuprate(3-), (4-amino-5-hydroxy-6-((2-hydroxy-4-sulfo-6-((2,5,6-trichloro-4-pyrimidinyl)amino)-1-naphthalenyl)azo)-1,3-naphthalenedisulfonato(5-))-, trisodiumCuprate(3-), [4-amino-5-hydroxy-6-[[2-hydroxy-4-sulfo-6-[(2,5,6-trichloro-4-pyrimidinyl)amino]-1-naphthalenyl]azo]-1,3-naphthalenedisulfonato(5-)]-, trisodiumCuprate(3-), [4-amino-5-(hydroxy-kappaO)-6-[2-[2-(hydroxy-kappaO)-4-sulfo-6-[(2,5,6-trichloro-4-pyrimidinyl)amino]-1-naphthalenyl]diazenyl-kappaN1]-1,3-naphthalenedisulfonato(5-)]-, sodium (1:3)RefChem:579743Cuprate(3-), [4-amino-5-(hydroxy-.kappa.O)-6-[2-[2-(hydroxy-.kappa.O)-4-sulfo-6-[(2,5,6-trichloro-4-pyrimidinyl)amino]-1-naphthalenyl]diazenyl-.kappa.N1]-1,3-naphthalenedisulfonato(5-)]-, sodium (1:3)70236-50-9EINECS 274-481-2Cuprate(3-), (4-amino-5-(hydroxy-kappaO)-6-((2-(hydroxy-kappaO)-4-sulfo-6-((2,5,6-trichloro-4-pyrimidinyl)amino)-1-naphthalenyl)azo-kappaN1)-1,3-naphthalenedisulfonato(5-))-, trisodium
Properties
Computed structural properties
- Topological polar surface area
- 331 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 4
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,460
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: Cuprate(3-), [4-amino-5-hydroxy-6-[[2-hydroxy-4-sulfo-6-[(2,5,6-trichloro-4-pyrimidinyl)amino]-1-naphthalenyl]azo]-1,3-naphthalenedisulfonato(5-)]-, trisodium
Other Safety InformationIMAP assessments - Cuprate(3-), [4-amino-5-hydroxy-6-[[2-hydroxy-4-sulfo-6-[(2,5,6-trichloro-4-pyrimidinyl)amino]-1-naphthalenyl]azo]-1,3-naphthalenedisulfonato(5-)]-, trisodium: Human health tier I assessment
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCuprate(3-), [4-amino-5-(hydroxy-.kappa.O)-6-[2-[2-(hydroxy-.kappa.O)-4-sulfo-6-[(2,5,6-trichloro-4-pyrimidinyl)amino]-1-naphthalenyl]diazenyl-.kappa.N1]-1,3-naphthalenedisulfonato(5-)]-, sodium (1:3): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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