4-[2-[4-(n-acetylanilino)buta-1,3-dienyl]benzo[f][1,3]benzothiazol-3-ium-3-yl]butane-2-sulfonic acid (CHEM342208)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 09:43:20 UTC | ||||||||
| Update Date | 2026-08-31 09:43:20 UTC | ||||||||
| Accession Number | CHEM342208 | ||||||||
| Identification | |||||||||
| Common Name | 4-[2-[4-(n-acetylanilino)buta-1,3-dienyl]benzo[f][1,3]benzothiazol-3-ium-3-yl]butane-2-sulfonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C27H27N2O4S2+ | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 507.141 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(CC[N+]1=C(SC2=CC3=CC=CC=C3C=C21)C=CC=CN(C4=CC=CC=C4)C(=O)C)S(=O)(=O)O | ||||||||
| InChI Identifier | InChI=1S/C27H26N2O4S2/c1-20(35(31,32)33)15-17-29-25-18-22-10-6-7-11-23(22)19-26(25)34-27(29)14-8-9-16-28(21(2)30)24-12-4-3-5-13-24/h3-14,16,18-20H,15,17H2,1-2H3/p+1 | ||||||||
| InChI Key | YHHPTGQMZQAZEW-UHFFFAOYSA-O | ||||||||
| 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 | |||||||||
| 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 | ||||||||
