Alpha-methylaconitate (CHEM122828)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 10:47:12 UTC | ||||||||
| Update Date | 2026-04-06 10:47:12 UTC | ||||||||
| Accession Number | CHEM122828 | ||||||||
| Identification | |||||||||
| Common Name | Alpha-methylaconitate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Alpha-methylaconitate belongs to the cyclohexylphenols, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the chemical formula C27H29Br1Cl2N2O7. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C27H29Br1Cl2N2O7 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 642.054 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C27H29BrCl2N2O7/c1-25(2,3)32-21(34)14-7-6-13-15(18(14)22(32)35)10-26(29)23(36)31(11-28)24(37)27(26,30)20(13)19-16(38-4)8-12(33)9-17(19)39-5/h6,8-9,14-15,18,20,33H,7,10-11H2,1-5H3 | ||||||||
| InChI Key | CFZIHKALHXEGBL-UHFFFAOYSA-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 | ||||||||
