[(1s,3s,5r)-2-[4-[4-[(1r,3r,5r)-8,8-dimethyl-3-(2-phenylacetyl)oxy-8-azoniabicyclo[3.2.1]octan-2-yl]phenyl]phenyl]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylacetate (CHEM353007)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-09-01 04:06:40 UTC | ||||||||
| Update Date | 2026-09-01 04:06:40 UTC | ||||||||
| Accession Number | CHEM353007 | ||||||||
| Identification | |||||||||
| Common Name | [(1s,3s,5r)-2-[4-[4-[(1r,3r,5r)-8,8-dimethyl-3-(2-phenylacetyl)oxy-8-azoniabicyclo[3.2.1]octan-2-yl]phenyl]phenyl]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylacetate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C46H54N2O4+2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 698.408 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C[N+]1(C2CCC1C(C(C2)OC(=O)CC3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)C6C7CCC([N+]7(C)C)CC6OC(=O)CC8=CC=CC=C8)C | ||||||||
| InChI Identifier | InChI=1S/C46H54N2O4/c1-47(2)37-23-25-39(47)45(41(29-37)51-43(49)27-31-11-7-5-8-12-31)35-19-15-33(16-20-35)34-17-21-36(22-18-34)46-40-26-24-38(48(40,3)4)30-42(46)52-44(50)28-32-13-9-6-10-14-32/h5-22,37-42,45-46H,23-30H2,1-4H3/q+2/t37-,38-,39-,40+,41-,42+,45?,46?/m1/s1 | ||||||||
| InChI Key | KKUDRSLFRYVMEH-ZXVUAWRISA-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 | ||||||||
