Cuprate(2-), [4-[4,5-dihydro-4-[2-[2-(hydroxy-kappaO)-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl-kappaN1]-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl]benzenesulfonato(4-)]-, potassium (1:2)

HCID 175607

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Basic information

CAS: 94314-07-5
Standard SMILES: Cc1nn(-c2ccc(S(=O)(=O)[O-])cc2)c([O-])c1N=Nc1cc(S(=O)(=O)CCOS(=O)(=O)[O-])ccc1[O-].[Cu+2].[K+].[K+]
InChIKey: JCCHAWINSXEJCF-UHFFFAOYSA-J
Molecular formula: C18H14CuK2N4O11S3
Average molar mass: 700.3 g/mol
Monoisotopic mass: 698.839131

Names & identifiers

Preferred name: Cuprate(2-), [4-[4,5-dihydro-4-[2-[2-(hydroxy-kappaO)-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl-kappaN1]-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl]benzenesulfonato(4-)]-, potassium (1:2)
IUPAC: copper;dipotassium;4-[3-methyl-5-oxido-4-[[2-oxido-5-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]pyrazol-1-yl]benzenesulfonate

Names & synonyms

DTXSID101341309Cuprate(2-), (4-(4,5-dihydro-4-(2-(2-(hydroxy-kappaO)-5-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl-kappaN1)-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)benzenesulfonato(4-))-, potassium (1:2)Cuprate(2-), [4-[4,5-dihydro-4-[2-[2-(hydroxy-kappaO)-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl-kappaN1]-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl]benzenesulfonato(4-)]-, potassium (1:2)Cuprate(2-), [4-[4,5-dihydro-4-[2-[2-(hydroxy-.kappa.O)-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl-.kappa.N1]-3-methyl-5-(oxo-.kappa.O)-1H-pyrazol-1-yl]benzenesulfonato(4-)]-, potassium (1:2)RefChem:579662DTXCID50177027194314-07-5EINECS 305-007-5JCCHAWINSXEJCF-UHFFFAOYSA-JCuprate(2-), (4-(4,5-dihydro-4-((2-(hydroxy-kappaO)-5-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo-kappaN1)-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)benzenesulfonato(4-))-, dipotassiumDipotassium (4-(4,5-dihydro-4-((2-hydroxy-5-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonato(4-))cuprate(2-)

Database identifiers

CAS

Properties

Computed structural properties

Topological polar surface area: 272 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 14
Rotatable bonds: 7
Heavy atoms: 39
Formal charge: 0
Complexity: 1,060

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 InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationCuprate(2-), [4-[4,5-dihydro-4-[2-[2-(hydroxy-.kappa.O)-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl-.kappa.N1]-3-methyl-5-(oxo-.kappa.O)-1H-pyrazol-1-yl]benzenesulfonato(4-)]-, potassium (1:2): INACTIVE

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