3-O-(1-Benzylpyrrolidin-3-yl) 5-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate (CHEM121888)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 09:39:18 UTC | ||||||||
| Update Date | 2026-08-31 09:52:41 UTC | ||||||||
| Accession Number | CHEM121888 | ||||||||
| Identification | |||||||||
| Common Name | 3-O-(1-Benzylpyrrolidin-3-yl) 5-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate | ||||||||
| Class | Small Molecule | ||||||||
| Description | 3-O-(1-Benzylpyrrolidin-3-yl) 5-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate belongs to the phenylpyridines, a subclass of pyridines and derivatives within the organic compounds. This organoheterocyclic compound has the chemical formula C27H27N3O6 and an average molecular weight of 489.50 g/mol. The compound is found in or released from 13 recorded sources across several sectors. Within electrical and electronic equipment, it is associated with batteries, capacitors, printed circuit boards, wires and cables, and cell phones, among one other source. In the textiles, leather and furnishings sector, it is found in synthetic textiles as well as carpets and rugs. It is present in food packaging within the food, food processing and cookware category, and in medical devices within the healthcare, pharmaceuticals and veterinary products sector. Additionally, it is used as lubricants in both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, along with one further sector. Recorded exposure routes for this substance include oral, inhalation, and touch. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
| ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C27H27N3O6 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 489.190 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 3-O-(1-benzylpyrrolidin-3-yl) 5-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=C(C(=C(C(=N1)C)C(=O)OC2CCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC | ||||||||
| InChI Identifier | InChI=1S/C27H27N3O6/c1-17-23(26(31)35-3)25(20-10-7-11-21(14-20)30(33)34)24(18(2)28-17)27(32)36-22-12-13-29(16-22)15-19-8-5-4-6-9-19/h4-11,14,22H,12-13,15-16H2,1-3H3 | ||||||||
| InChI Key | DFWOMDUVXAUTRY-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 |
| ||||||||
| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
| ||||||||
| 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 | ||||||||
