((9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-2-anthryl)amino)benzenesulphonic acid (CHEM076789)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 16:40:29 UTC | ||||||||
| Update Date | 2026-04-04 16:40:29 UTC | ||||||||
| Accession Number | CHEM076789 | ||||||||
| Identification | |||||||||
| Common Name | ((9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-2-anthryl)amino)benzenesulphonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C20H13N1O7S1 | ||||||||
| Average Molecular Mass | 411.380 g/mol | ||||||||
| Monoisotopic Mass | 411.041 g/mol | ||||||||
| CAS Registry Number | 94087-00-0 | ||||||||
| IUPAC Name | 2-[(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)amino]benzenesulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | OC1=C2C(=O)C3=CC=CC=C3C(=O)C2=C(O)C(NC2=CC=CC=C2S(O)(=O)=O)=C1 | ||||||||
| InChI Identifier | InChI=1S/C20H13NO7S/c22-14-9-13(21-12-7-3-4-8-15(12)29(26,27)28)20(25)17-16(14)18(23)10-5-1-2-6-11(10)19(17)24/h1-9,21-22,25H,(H,26,27,28) | ||||||||
| InChI Key | WEFQTBBVPISSDD-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
