(12e)-12-ethylidene-10-(hydroxymethyl)-14-methyl-9-aza-14-azoniapentacyclo[9.5.2.01,9.03,8.014,17]octadeca-3,5,7-trien-2-one (CHEM319298)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-30 00:06:18 UTC | ||||||||
| Update Date | 2026-08-30 00:06:18 UTC | ||||||||
| Accession Number | CHEM319298 | ||||||||
| Identification | |||||||||
| Common Name | (12e)-12-ethylidene-10-(hydroxymethyl)-14-methyl-9-aza-14-azoniapentacyclo[9.5.2.01,9.03,8.014,17]octadeca-3,5,7-trien-2-one | ||||||||
| Class | Small Molecule | ||||||||
| Description | (12e)-12-ethylidene-10-(hydroxymethyl)-14-methyl-9-aza-14-azoniapentacyclo[9.5.2.01,9.03,8.014,17]octadeca-3,5,7-trien-2-one is a chemical compound with the formula C20H25N2O2+. It has an average molecular weight of 325.40 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C20H25N2O2+ | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 325.192 g/mol | ||||||||
| CAS Registry Number | 6879-92-1 | ||||||||
| IUPAC Name | (12e)-12-ethylidene-10-(hydroxymethyl)-14-methyl-9-aza-14-azoniapentacyclo[9.5.2.01,9.03,8.014,17]octadeca-3,5,7-trien-2-one | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC=C1C[N+]2(CCC34C2CC1C(N3C5=CC=CC=C5C4=O)CO)C | ||||||||
| InChI Identifier | InChI=1S/C20H25N2O2/c1-3-13-11-22(2)9-8-20-18(22)10-15(13)17(12-23)21(20)16-7-5-4-6-14(16)19(20)24/h3-7,15,17-18,23H,8-12H2,1-2H3/q+1/b13-3- | ||||||||
| InChI Key | IMTBHUUDGATBHM-DXNYSGJVSA-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 |
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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 | ||||||||
