3-Oxo-N-[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]butyramide (CHEM095921)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 07:21:17 UTC | ||||||||
| Update Date | 2026-08-27 20:03:45 UTC | ||||||||
| Accession Number | CHEM095921 | ||||||||
| Identification | |||||||||
| Common Name | 3-Oxo-N-[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]butyramide | ||||||||
| Class | Small Molecule | ||||||||
| Description | 3-Oxo-N-[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]butyramide belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. It is classified as a benzenoid with the chemical formula C12H15NO8S2 and an average molecular weight of 365.37 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C12H15NO8S2 | ||||||||
| Average Molecular Mass | 365.370 g/mol | ||||||||
| Monoisotopic Mass | 365.024 g/mol | ||||||||
| CAS Registry Number | 68516-48-3 | ||||||||
| IUPAC Name | 2-[4-(3-oxobutanoylamino)phenyl]sulfonylethyl hydrogen sulfate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(=O)CC(=O)NC1=CC=C(C=C1)S(=O)(=O)CCOS(O)(=O)=O | ||||||||
| InChI Identifier | InChI=1/C12H15NO8S2/c1-9(14)8-12(15)13-10-2-4-11(5-3-10)22(16,17)7-6-21-23(18,19)20/h2-5H,6-8H2,1H3,(H,13,15)(H,18,19,20) | ||||||||
| InChI Key | MEFNHSZVQXGNFR-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 | |||||||||
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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 | ||||||||
