9,10-Anthracenedione, 1-amino-5-hydroxy-4-[(2-methoxyphenyl)amino]-8-nitro- (CHEM074586)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 12:53:36 UTC | ||||||||
| Update Date | 2026-08-21 17:45:32 UTC | ||||||||
| Accession Number | CHEM074586 | ||||||||
| Identification | |||||||||
| Common Name | 9,10-Anthracenedione, 1-amino-5-hydroxy-4-[(2-methoxyphenyl)amino]-8-nitro- | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C21H15N3O6 | ||||||||
| Average Molecular Mass | 405.366 g/mol | ||||||||
| Monoisotopic Mass | 405.096 g/mol | ||||||||
| CAS Registry Number | 71412-38-9 | ||||||||
| IUPAC Name | 5-amino-8-[(2-methoxyphenyl)azaniumyl]-4-nitro-9,10-dioxoanthracen-1-olate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | COC1=C(NC2=CC=C(N)C3=C2C(=O)C2=C(O)C=CC(=C2C3=O)[N+]([O-])=O)C=CC=C1 | ||||||||
| InChI Identifier | InChI=1S/C21H15N3O6/c1-30-15-5-3-2-4-11(15)23-12-7-6-10(22)16-17(12)21(27)19-14(25)9-8-13(24(28)29)18(19)20(16)26/h2-9,23,25H,22H2,1H3 | ||||||||
| InChI Key | BKWLXQMMPYJEDE-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 | ||||||||
