2-(1-Amino-9,10-bis(sulphooxy)-2-anthryl)anthra(2,3-d)oxazole-5,10-diyl bis(hydrogen sulphate) (CHEM070338)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 01:47:42 UTC | ||||||||
| Update Date | 2026-04-04 01:47:42 UTC | ||||||||
| Accession Number | CHEM070338 | ||||||||
| Identification | |||||||||
| Common Name | 2-(1-Amino-9,10-bis(sulphooxy)-2-anthryl)anthra(2,3-d)oxazole-5,10-diyl bis(hydrogen sulphate) | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C29H18N2O17S4 | ||||||||
| Average Molecular Mass | 794.700 g/mol | ||||||||
| Monoisotopic Mass | 793.949 g/mol | ||||||||
| CAS Registry Number | 4568-45-0 | ||||||||
| IUPAC Name | [2-(1-amino-9,10-disulfooxyanthracen-2-yl)-5-sulfooxynaphtho[3,2-f][1,3]benzoxazol-10-yl] hydrogen sulfate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | NC1=C(C=CC2=C(OS(O)(=O)=O)C3=CC=CC=C3C(OS(O)(=O)=O)=C12)C1=NC2=CC3=C(OS(O)(=O)=O)C4=CC=CC=C4C(OS(O)(=O)=O)=C3C=C2O1 | ||||||||
| InChI Identifier | InChI=1S/C29H18N2O17S4/c30-24-18(10-9-17-23(24)28(48-52(41,42)43)16-8-4-3-7-15(16)25(17)45-49(32,33)34)29-31-21-11-19-20(12-22(21)44-29)27(47-51(38,39)40)14-6-2-1-5-13(14)26(19)46-50(35,36)37/h1-12H,30H2,(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43) | ||||||||
| InChI Key | QZXVIVPPIIRMCP-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 | ||||||||
