Sodium 2-{methyl[(9E)-9-octadecenoyl]amino}ethanesulfonate (CHEM063729)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-03 10:42:44 UTC | ||||||||
| Update Date | 2026-04-03 10:42:44 UTC | ||||||||
| Accession Number | CHEM063729 | ||||||||
| Identification | |||||||||
| Common Name | Sodium 2-{methyl[(9E)-9-octadecenoyl]amino}ethanesulfonate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C21H43N1O3S1 | ||||||||
| Average Molecular Mass | 402.610 g/mol | ||||||||
| Monoisotopic Mass | 389.296 g/mol | ||||||||
| CAS Registry Number | 7346-80-7 | ||||||||
| IUPAC Name | sodium;2-[methyl-[(Z)-octadec-9-enyl]amino]ethanesulfonate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)N(C)CCS([O-])(=O)=O | ||||||||
| InChI Identifier | InChI=1S/C21H43NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)20-21-26(23,24)25/h10-11H,3-9,12-21H2,1-2H3,(H,23,24,25)/b11-10- | ||||||||
| InChI Key | AUPJTDWZPFFCCP-GMFCBQQYSA-M | ||||||||
| 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 | ||||||||
