[3-carboxy-2-[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyloxy]propyl]-trimethylazanium (CHEM345894)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 14:51:02 UTC | ||||||||
| Update Date | 2026-08-31 14:51:02 UTC | ||||||||
| Accession Number | CHEM345894 | ||||||||
| Identification | |||||||||
| Common Name | [3-carboxy-2-[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyloxy]propyl]-trimethylazanium | ||||||||
| Class | Small Molecule | ||||||||
| Description | [3-carboxy-2-[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyloxy]propyl]-trimethylazanium is a compound with the formula C29H52NO5+. It has an average molecular weight of 494.70 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C29H52NO5+ | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 494.385 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | [3-carboxy-2-[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyloxy]propyl]-trimethylazanium | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCCC1=C(C(=C(O1)CCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C)C)C | ||||||||
| InChI Identifier | InChI=1S/C29H51NO5/c1-7-8-15-18-26-23(2)24(3)27(35-26)19-16-13-11-9-10-12-14-17-20-29(33)34-25(21-28(31)32)22-30(4,5)6/h25H,7-22H2,1-6H3/p+1 | ||||||||
| InChI Key | WQLIWMYGZIFUER-UHFFFAOYSA-O | ||||||||
| 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 | ||||||||
