4-[2-[(1-ethyl-6-methoxyquinolin-1-ium-2-yl)methylidene]-5-(trifluoromethyl)-1,3-benzothiazol-3-yl]butane-1-sulfonic acid (CHEM337874)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 02:43:48 UTC | ||||||||
| Update Date | 2026-08-31 02:43:48 UTC | ||||||||
| Accession Number | CHEM337874 | ||||||||
| Identification | |||||||||
| Common Name | 4-[2-[(1-ethyl-6-methoxyquinolin-1-ium-2-yl)methylidene]-5-(trifluoromethyl)-1,3-benzothiazol-3-yl]butane-1-sulfonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C25H26F3N2O4S2+ | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 539.129 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC[N+]1=C(C=CC2=C1C=CC(=C2)OC)C=C3N(C4=C(S3)C=CC(=C4)C(F)(F)F)CCCCS(=O)(=O)O | ||||||||
| InChI Identifier | InChI=1S/C25H25F3N2O4S2/c1-3-29-19(8-6-17-14-20(34-2)9-10-21(17)29)16-24-30(12-4-5-13-36(31,32)33)22-15-18(25(26,27)28)7-11-23(22)35-24/h6-11,14-16H,3-5,12-13H2,1-2H3/p+1 | ||||||||
| InChI Key | YHZDVFLTJHWIPE-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 |
| ||||||||
| 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 | ||||||||
