(5Alpha,6alpha)-3,6-Bis(acetoxy)-7,8-didehydro-4,5-epoxymorphinan-17-carbonitrile (CHEM066592)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-03 17:25:07 UTC | ||||||||
| Update Date | 2026-04-03 17:25:07 UTC | ||||||||
| Accession Number | CHEM066592 | ||||||||
| Identification | |||||||||
| Common Name | (5Alpha,6alpha)-3,6-Bis(acetoxy)-7,8-didehydro-4,5-epoxymorphinan-17-carbonitrile | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C21H20N2O5 | ||||||||
| Average Molecular Mass | 380.400 g/mol | ||||||||
| Monoisotopic Mass | 380.137 g/mol | ||||||||
| CAS Registry Number | 20827-47-8 | ||||||||
| IUPAC Name | [(4R,4aR,7S,7aR,12bS)-9-acetyloxy-3-cyano-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl] acetate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5C(O[C@@H]1[C@@]25CCN3C#N)=C(OC(C)=O)C=C4 | ||||||||
| InChI Identifier | InChI=1S/C21H20N2O5/c1-11(24)26-16-5-3-13-9-15-14-4-6-17(27-12(2)25)20-21(14,7-8-23(15)10-22)18(13)19(16)28-20/h3-6,14-15,17,20H,7-9H2,1-2H3/t14-,15-,17+,20-,21+/m1/s1 | ||||||||
| InChI Key | WGKXVAROYWUSEW-PVHGPHFFSA-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 | ||||||||
