Butyl 2-[1-[(e)-4-[4-[4-[(e)-4-[1-(2-butoxy-2-oxoethyl)piperidin-1-ium-1-yl]-2-methylbut-2-enyl]phenyl]phenyl]-3-methylbut-2-enyl]piperidin-1-ium-1-yl]acetate (CHEM352477)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-09-01 02:43:30 UTC | ||||||||
| Update Date | 2026-09-01 02:43:30 UTC | ||||||||
| Accession Number | CHEM352477 | ||||||||
| Identification | |||||||||
| Common Name | Butyl 2-[1-[(e)-4-[4-[4-[(e)-4-[1-(2-butoxy-2-oxoethyl)piperidin-1-ium-1-yl]-2-methylbut-2-enyl]phenyl]phenyl]-3-methylbut-2-enyl]piperidin-1-ium-1-yl]acetate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C44H66N2O4+2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 686.502 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCOC(=O)C[N+]1(CCCCC1)CC=C(C)CC2=CC=C(C=C2)C3=CC=C(C=C3)CC(=CC[N+]4(CCCCC4)CC(=O)OCCCC)C | ||||||||
| InChI Identifier | InChI=1S/C44H66N2O4/c1-5-7-31-49-43(47)35-45(25-11-9-12-26-45)29-23-37(3)33-39-15-19-41(20-16-39)42-21-17-40(18-22-42)34-38(4)24-30-46(27-13-10-14-28-46)36-44(48)50-32-8-6-2/h15-24H,5-14,25-36H2,1-4H3/q+2/b37-23+,38-24+ | ||||||||
| InChI Key | YEWDLKCJCIEJCM-DNJOOXRZSA-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 | |||||||||
| 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 | ||||||||
