3-[4-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]phenoxy]sulfonylbenzoic acid (CHEM341651)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 08:44:16 UTC | ||||||||
| Update Date | 2026-08-31 08:44:16 UTC | ||||||||
| Accession Number | CHEM341651 | ||||||||
| Identification | |||||||||
| Common Name | 3-[4-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]phenoxy]sulfonylbenzoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 3-[4-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]phenoxy]sulfonylbenzoic acid is a chemical compound with the formula C27H18N2O10S2. With an average molecular weight of 594.60 g/mol, 3-[4-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]phenoxy]sulfonylbenzoic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C27H18N2O10S2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 594.040 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 3-[4-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]phenoxy]sulfonylbenzoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)OS(=O)(=O)C5=CC=CC(=C5)C(=O)O)S(=O)(=O)O)N | ||||||||
| InChI Identifier | InChI=1S/C27H18N2O10S2/c28-24-21(40(34,35)36)13-20(22-23(24)26(31)19-7-2-1-6-18(19)25(22)30)29-15-8-10-16(11-9-15)39-41(37,38)17-5-3-4-14(12-17)27(32)33/h1-13,29H,28H2,(H,32,33)(H,34,35,36) | ||||||||
| InChI Key | CIPZLICZDITJNZ-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 | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
