4-[n-[4-(n-(4-chlorobenzoyl)-2,6-dimethylanilino)butanoyl]-2,6-dimethylanilino]butanoic acid (CHEM347445)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 17:19:12 UTC | ||||||||
| Update Date | 2026-08-31 17:19:12 UTC | ||||||||
| Accession Number | CHEM347445 | ||||||||
| Identification | |||||||||
| Common Name | 4-[n-[4-(n-(4-chlorobenzoyl)-2,6-dimethylanilino)butanoyl]-2,6-dimethylanilino]butanoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 4-[n-[4-(n-(4-chlorobenzoyl)-2,6-dimethylanilino)butanoyl]-2,6-dimethylanilino]butanoic acid is a chemical compound with the formula C31H35ClN2O4. With an average molecular weight of 535.10 g/mol, 4-[n-[4-(n-(4-chlorobenzoyl)-2,6-dimethylanilino)butanoyl]-2,6-dimethylanilino]butanoic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C31H35ClN2O4 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 534.229 g/mol | ||||||||
| CAS Registry Number | 71455-66-8 | ||||||||
| IUPAC Name | 4-[n-[4-(n-(4-chlorobenzoyl)-2,6-dimethylanilino)butanoyl]-2,6-dimethylanilino]butanoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=C(C(=CC=C1)C)N(CCCC(=O)O)C(=O)CCCN(C2=C(C=CC=C2C)C)C(=O)C3=CC=C(C=C3)Cl | ||||||||
| InChI Identifier | InChI=1S/C31H35ClN2O4/c1-21-9-5-10-22(2)29(21)33(19-8-14-28(36)37)27(35)13-7-20-34(30-23(3)11-6-12-24(30)4)31(38)25-15-17-26(32)18-16-25/h5-6,9-12,15-18H,7-8,13-14,19-20H2,1-4H3,(H,36,37) | ||||||||
| InChI Key | WOMFKQGDPWCASM-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 | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
