Sodium 3-[[3-(dimethylamino)propyl][(perfluorooctyl)sulfonyl]amino]-2-hydroxypropanesulfonate (CHEM112770)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 23:58:13 UTC | ||||||||
| Update Date | 2026-05-21 00:28:02 UTC | ||||||||
| Accession Number | CHEM112770 | ||||||||
| Identification | |||||||||
| Common Name | Sodium 3-[[3-(dimethylamino)propyl][(perfluorooctyl)sulfonyl]amino]-2-hydroxypropanesulfonate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C16H18F17N2NaO6S2 | ||||||||
| Average Molecular Mass | 744.410 g/mol | ||||||||
| Monoisotopic Mass | 744.023 g/mol | ||||||||
| CAS Registry Number | 94133-90-1 | ||||||||
| IUPAC Name | Sodium 3-{[3-(dimethylamino)propyl](1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonyl)amino}-2-hydroxypropane-1-sulfonate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [Na+].CN(C)CCCN(CC(O)CS([O-])(=O)=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F | ||||||||
| InChI Identifier | InChI=1/C16H19F17N2O6S2.Na/c1-34(2)4-3-5-35(6-8(36)7-42(37,38)39)43(40,41)16(32,33)14(27,28)12(23,24)10(19,20)9(17,18)11(21,22)13(25,26)15(29,30)31;/h8,36H,3-7H2,1-2H3,(H,37,38,39);/q;+1/p-1 | ||||||||
| InChI Key | WALPFEROPZNJCB-UHFFFAOYSA-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 | |||||||||
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| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
