3-[(3-aminobenzoyl)amino]-5-[[4-[[4-[[3-[(3-aminobenzoyl)amino]-2-methyl-5-sulfophenyl]diazenyl]-2-methoxy-5-methylphenyl]carbamoylamino]-5-methoxy-2-methylphenyl]diazenyl]-4-methylbenzenesulfonic acid (CHEM352685)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-09-01 03:31:24 UTC | ||||||||
| Update Date | 2026-09-01 03:31:24 UTC | ||||||||
| Accession Number | CHEM352685 | ||||||||
| Identification | |||||||||
| Common Name | 3-[(3-aminobenzoyl)amino]-5-[[4-[[4-[[3-[(3-aminobenzoyl)amino]-2-methyl-5-sulfophenyl]diazenyl]-2-methoxy-5-methylphenyl]carbamoylamino]-5-methoxy-2-methylphenyl]diazenyl]-4-methylbenzenesulfonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C45H44N10O11S2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 964.263 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=CC(=C(C=C1N=NC2=CC(=CC(=C2C)NC(=O)C3=CC(=CC=C3)N)S(=O)(=O)O)OC)NC(=O)NC4=C(C=C(C(=C4)C)N=NC5=CC(=CC(=C5C)NC(=O)C6=CC(=CC=C6)N)S(=O)(=O)O)OC | ||||||||
| InChI Identifier | InChI=1S/C45H44N10O11S2/c1-23-13-39(41(65-5)21-33(23)52-54-37-19-31(67(59,60)61)17-35(25(37)3)48-43(56)27-9-7-11-29(46)15-27)50-45(58)51-40-14-24(2)34(22-42(40)66-6)53-55-38-20-32(68(62,63)64)18-36(26(38)4)49-44(57)28-10-8-12-30(47)16-28/h7-22H,46-47H2,1-6H3,(H,48,56)(H,49,57)(H2,50,51,58)(H,59,60,61)(H,62,63,64) | ||||||||
| InChI Key | XZZWLTJKKIDVNK-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 |
| ||||||||
| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra | |||||||||
| 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 | ||||||||
