89695 <common-name>[R-(R*,R*)]-2-[2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-2-oxoethyl stearate</common-name> <description>[R-(R*,R*)]-2-[2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-2-oxoethyl stearate belongs to the nitrobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. It is classified as a benzenoid with the formula C31H48Cl2N2O8. With an average molecular weight of 647.63 g/mol, [R-(R*,R*)]-2-[2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-2-oxoethyl stearate is a heavy molecule.</description> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C31H48Cl2N2O8</chemical-formula> <weight nil="true"/> <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">2026-04-04T23:53:27Z</created-at> <updated-at type="dateTime">2026-04-04T23:53:27Z</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>[H][C@@](O)(C1=CC=C(C=C1)N(=O)=O)[C@@]([H])(COC(=O)COC(=O)CCCCCCCCCCCCCCCCC)N=C(O)C(Cl)Cl</moldb-smiles> <moldb-formula>C31H48Cl2N2O8</moldb-formula> <moldb-inchi>InChI=1/C31H48Cl2N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(36)43-23-28(37)42-22-26(34-31(39)30(32)33)29(38)24-18-20-25(21-19-24)35(40)41/h18-21,26,29-30,38H,2-17,22-23H2,1H3,(H,34,39)</moldb-inchi> <moldb-inchikey>QEFDFGVDVZTFAK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">647.63</moldb-average-mass> <moldb-mono-mass type="decimal">646.2787719</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM085588</chemdb-id> <dsstox-id>DTXSID00947128</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00050630</susdat-id> <iupac nil="true"/> <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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Nitrobenzenes</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0116335</sync-id> <structure-inchikey>QEFDFGVDVZTFAK-GGXMVOPNSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000200000010000000000000000008300000000080000002000000000000000000000004000000000000004000000000000000000000000000000000010000000000000020000004800100001004400000400040000020010000000200000000000200020020000000000000000000000000000000000040000000000000000000010000000080001000000000000000001020000000000000000000000400082001000000000008000000000000000000000000200008000000000000008000000000000010000000000000000200000010000000420000000004000040080000010400000008001000000008080000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������+���+���€�� 4��������`������@(������@h�������@h�������@(������@h�������@h��������*��������*���ÿ����(������ 4��������`�������(�������(�������(�������`�������(�������(�������(�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������h��������`������� ������ �������������h���h���h���h���h��� � � (�������� � � ��(��������� ��(�������������������������������������� � !�!"�"#�#$��%�%&(�&' &(�()�(*���h�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:32:49Z</structure-indexed-at> </compound>