2-(4-((1,3-Dioxo-3-phenylpropyl)amino)phenyl)-1-octadecyl-1H-benzimidazole-5-sulphonic acid (CHEM070894)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 02:41:26 UTC | ||||||||
| Update Date | 2026-04-04 02:41:26 UTC | ||||||||
| Accession Number | CHEM070894 | ||||||||
| Identification | |||||||||
| Common Name | 2-(4-((1,3-Dioxo-3-phenylpropyl)amino)phenyl)-1-octadecyl-1H-benzimidazole-5-sulphonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C40H53N3O5S1 | ||||||||
| Average Molecular Mass | 687.940 g/mol | ||||||||
| Monoisotopic Mass | 687.371 g/mol | ||||||||
| CAS Registry Number | 5149-72-4 | ||||||||
| IUPAC Name | 1-octadecyl-2-[4-[(3-oxo-3-phenylpropanoyl)amino]phenyl]benzimidazole-5-sulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCCCCCCCCCCCCCCCN1C2=C(C=C(C=C2)S(O)(=O)=O)N=C1C1=CC=C(NC(=O)CC(=O)C2=CC=CC=C2)C=C1 | ||||||||
| InChI Identifier | InChI=1S/C40H53N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-29-43-37-28-27-35(49(46,47)48)30-36(37)42-40(43)33-23-25-34(26-24-33)41-39(45)31-38(44)32-21-18-17-19-22-32/h17-19,21-28,30H,2-16,20,29,31H2,1H3,(H,41,45)(H,46,47,48) | ||||||||
| InChI Key | ZCDJHOQJPIXSCQ-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 | ||||||||
