Roquefortine A (CHEM114768)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 02:26:03 UTC | ||||||||
| Update Date | 2026-05-21 02:14:59 UTC | ||||||||
| Accession Number | CHEM114768 | ||||||||
| Identification | |||||||||
| Common Name | Roquefortine A | ||||||||
| Class | Small Molecule | ||||||||
| Description | Roquefortine A is a chemical compound with the formula $\text{C}_{18}\text{H}_{22}\text{N}_2\text{O}_2$ and an average molecular weight of 298.39 g/mol. Roquefortine A belongs to the clavines and derivatives, a subclass of ergoline and derivatives within the organic compounds. The compound is found in or released from 13 recorded sources spanning multiple sectors. Within electrical and electronic equipment, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other item. In the sector of textiles, leather and furnishings, it is found in synthetic textiles as well as carpets and rugs. It is also present in food packaging within the food, food processing and cookware sector, and in medical devices within healthcare, pharmaceuticals and veterinary products. Additionally, it is found in lubricants used in energy, oil and gas, as well as in industrial manufacturing and chemical processing, along with one more sector. Recorded routes of exposure for Roquefortine A include inhalation, oral, and touch. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C18H22N2O2 | ||||||||
| Average Molecular Mass | 298.386 g/mol | ||||||||
| Monoisotopic Mass | 298.168 g/mol | ||||||||
| CAS Registry Number | 58800-19-4 | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [H][C@@]12CC3=CNC4=CC=CC(C1[C@H](OC(C)=O)[C@@H](C)CN2C)=C34 | ||||||||
| InChI Identifier | InChI=1S/C18H22N2O2/c1-10-9-20(3)15-7-12-8-19-14-6-4-5-13(16(12)14)17(15)18(10)22-11(2)21/h4-6,8,10,15,17-19H,7,9H2,1-3H3/t10-,15+,17+,18+/m0/s1 | ||||||||
| InChI Key | GJSSYQDXZLZOLR-QMHBMSAFSA-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 | ||||||||
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| 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 | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
