4-[(2e)-5,6-dichloro-3-ethyl-2-[(e)-3-[1-(3-sulfopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]prop-2-enylidene]benzimidazol-1-yl]butane-2-sulfonic acid (CHEM346445)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 15:41:29 UTC | ||||||||
| Update Date | 2026-08-31 15:41:29 UTC | ||||||||
| Accession Number | CHEM346445 | ||||||||
| Identification | |||||||||
| Common Name | 4-[(2e)-5,6-dichloro-3-ethyl-2-[(e)-3-[1-(3-sulfopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]prop-2-enylidene]benzimidazol-1-yl]butane-2-sulfonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 4-[(2e)-5,6-dichloro-3-ethyl-2-[(e)-3-[1-(3-sulfopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]prop-2-enylidene]benzimidazol-1-yl]butane-2-sulfonic acid has the chemical formula C30H32Cl2N3O6S3+. With an average molecular weight of 697.70 g/mol, 4-[(2e)-5,6-dichloro-3-ethyl-2-[(e)-3-[1-(3-sulfopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]prop-2-enylidene]benzimidazol-1-yl]butane-2-sulfonic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C30H32Cl2N3O6S3+ | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 696.083 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 4-[(2e)-5,6-dichloro-3-ethyl-2-[(e)-3-[1-(3-sulfopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]prop-2-enylidene]benzimidazol-1-yl]butane-2-sulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCN1C2=CC(=C(C=C2N(C1=CC=CC3=[N+](C4=C(S3)C=CC5=CC=CC=C54)CCCS(=O)(=O)O)CCC(C)S(=O)(=O)O)Cl)Cl | ||||||||
| InChI Identifier | InChI=1S/C30H31Cl2N3O6S3/c1-3-33-25-18-23(31)24(32)19-26(25)34(16-14-20(2)44(39,40)41)28(33)10-6-11-29-35(15-7-17-43(36,37)38)30-22-9-5-4-8-21(22)12-13-27(30)42-29/h4-6,8-13,18-20H,3,7,14-17H2,1-2H3,(H-,36,37,38,39,40,41)/p+1 | ||||||||
| InChI Key | BZZDCNDLMSDARE-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 |
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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 | ||||||||
