2-[2-methyl-4-[[5-methyl-4-[3-methyl-4-(4-nitro-2-sulfoanilino)anilino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]anilino]-5-nitrobenzenesulfonic acid (CHEM348583)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 19:10:01 UTC | ||||||||
| Update Date | 2026-08-31 19:10:01 UTC | ||||||||
| Accession Number | CHEM348583 | ||||||||
| Identification | |||||||||
| Common Name | 2-[2-methyl-4-[[5-methyl-4-[3-methyl-4-(4-nitro-2-sulfoanilino)anilino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]anilino]-5-nitrobenzenesulfonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C33H28N6O12S2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 764.121 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 2-[2-methyl-4-[[5-methyl-4-[3-methyl-4-(4-nitro-2-sulfoanilino)anilino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]anilino]-5-nitrobenzenesulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=C(C=CC(=C1)NC2=CC(=O)C(=C(C2=O)C)NC3=CC(=C(C=C3)NC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)O)C)NC5=C(C=C(C=C5)[N+](=O)[O-])S(=O)(=O)O | ||||||||
| InChI Identifier | InChI=1S/C33H28N6O12S2/c1-17-12-20(4-8-24(17)36-26-10-6-22(38(42)43)14-30(26)52(46,47)48)34-28-16-29(40)32(19(3)33(28)41)35-21-5-9-25(18(2)13-21)37-27-11-7-23(39(44)45)15-31(27)53(49,50)51/h4-16,34-37H,1-3H3,(H,46,47,48)(H,49,50,51) | ||||||||
| InChI Key | ZDCBDHPAQAPTDR-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 | ||||||||
