125995 <common-name>3-O-(1-Benzylpyrrolidin-3-yl) 5-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate</common-name> <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.</description> <cas nil="true"/> <pubchem-id>91992444</pubchem-id> <chemical-formula>C27H27N3O6</chemical-formula> <weight>489.5</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-06T09:39:18Z</created-at> <updated-at type="dateTime">2026-08-31T09:52:41Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-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</moldb-smiles> <moldb-formula>C27H27N3O6</moldb-formula> <moldb-inchi>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</moldb-inchi> <moldb-inchikey>DFWOMDUVXAUTRY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">489.1899856</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM121888</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00117053</susdat-id> <iupac>3-O-(1-benzylpyrrolidin-3-yl) 5-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Pyridines and derivatives</klass> <subklass>Phenylpyridines</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0091968</sync-id> <structure-inchikey>DFWOMDUVXAUTRY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800800000100000040000000000000000000000000000000000000000000000000000000002004000000001000000000000000000000000000020000000080200000000000000020000000000100001040009000400000000000010000000240000000100000002000020100000100000000000000100001000040210000800000000200000080800000001104000000000000040020000000000004000000100000080000001000000000000000008000000000000010000000000000000020000000000000000010000000002000001220041000010000400000000001000040000000000400000800001000000000000004800000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������$���'���€���`������@(������@(������@(������@(������@(������@(�������`�������(�������(�������(�������`�������`�������`������� ������`�������`������@(������@h�������@h�������@h�������@h�������@h�������@(������@h�������@(������@h�������@h�������@h������� *��������(������ *���ÿ����(�������(�������(�������`�����������h���h���h���h���h������ � (�� ������ � �������������h���h���h���h���h��� ��h���h���h���h���h��� ��(��� � !(� " "#���h������h���h�B���������������� ������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:47:40Z</structure-indexed-at> </compound>