HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 175607Generated: October 30, 2026
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)
https://huagongshe.com/en/chemical/175607
Identifiers & Physical Properties
| CAS No. | 94314-07-5 |
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| Molecular formula | C18H14CuK2N4O11S3 |
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| Average molar mass | 700.3 g/mol |
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| Monoisotopic mass | 698.839131 g/mol |
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| 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+] |
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| InChIKey | JCCHAWINSXEJCF-UHFFFAOYSA-J |
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| PubChem CID | 175607 |
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| EC No. | 305-007-5 |
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Chemical & Physical Properties
| Topological polar surface area | 272 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 14 |
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| Rotatable bonds | 7 |
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| Heavy atoms | 39 |
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| Formal charge | 0 |
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| Complexity | 1,060 |
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Safety & Regulations
| Regulatory information | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
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![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) molecular structure](/img/chemical/175607.png)