(9r,10s,13s,14r,15r,16s)-15-benzyl-13-ethyl-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol (CHEM342793)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 10:27:37 UTC | ||||||||
| Update Date | 2026-08-31 10:27:37 UTC | ||||||||
| Accession Number | CHEM342793 | ||||||||
| Identification | |||||||||
| Common Name | (9r,10s,13s,14r,15r,16s)-15-benzyl-13-ethyl-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol | ||||||||
| Class | Small Molecule | ||||||||
| Description | (9r,10s,13s,14r,15r,16s)-15-benzyl-13-ethyl-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol is a compound with the formula C27H33N2O2+. It has an average molecular weight of 417.60 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C27H33N2O2+ | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 417.254 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (9r,10s,13s,14r,15r,16s)-15-benzyl-13-ethyl-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCC1C2CC3C4C5(CC(C2C5O)[N+]3(C1O)CC6=CC=CC=C6)C7=CC=CC=C7N4C | ||||||||
| InChI Identifier | InChI=1S/C27H33N2O2/c1-3-17-18-13-21-24-27(19-11-7-8-12-20(19)28(24)2)14-22(23(18)25(27)30)29(21,26(17)31)15-16-9-5-4-6-10-16/h4-12,17-18,21-26,30-31H,3,13-15H2,1-2H3/q+1/t17-,18?,21-,22-,23?,24-,25?,26+,27?,29-/m0/s1 | ||||||||
| InChI Key | KIPHTHYSVQAMJV-VNCBWIAKSA-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 | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
