88969 <common-name>[R-(R*,R*)]-2-[(dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulphonyl)phenyl]propyl palmitate</common-name> <description>[R-(R*,R*)]-2-[(dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulphonyl)phenyl]propyl palmitate belongs to the benzenesulfonyl compounds, a subclass of benzene and substituted derivatives within the organic compounds. It has the formula C28H45Cl2NO6S. With an average molecular weight of 594.63 g/mol, [R-(R*,R*)]-2-[(dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulphonyl)phenyl]propyl palmitate is a heavy molecule.</description> <cas>21478-01-3</cas> <pubchem-id>89502</pubchem-id> <chemical-formula>C28H45Cl2NO6S</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">2026-04-04T23:27:02Z</created-at> <updated-at type="dateTime">2026-04-04T23:27:02Z</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>CCCCCCCCCCCCCCCC(=O)OCC(N=C(O)C(Cl)Cl)C(O)C1=CC=C(C=C1)S(C)(=O)=O</moldb-smiles> <moldb-formula>C28H45Cl2NO6S</moldb-formula> <moldb-inchi>InChI=1/C28H45Cl2NO6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(32)37-21-24(31-28(34)27(29)30)26(33)22-17-19-23(20-18-22)38(2,35)36/h17-20,24,26-27,33H,3-16,21H2,1-2H3,(H,31,34)</moldb-inchi> <moldb-inchikey>MYPUUWZQHGIRSY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">594.63</moldb-average-mass> <moldb-mono-mass type="decimal">593.2344645</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>CHEM084862</chemdb-id> <dsstox-id>DTXSID60944072</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00049792</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>Benzenesulfonyl compounds</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0136176</sync-id> <structure-inchikey>MYPUUWZQHGIRSY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000200000010000000000000000008300000000000000002000001000000020000000004000000000000004000000000000000000000000000000000010000000000000020000004800900001004400000000000000020010000000000000000000200020020000000000000000000000000000000000040000000000000000000010000000080080000000000000000001008000000000000000000000400082001000000000008000000080000000000000000200008000000000000008000000000100010000000000000000200000010000000000000000004000040080000010400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������&���&���€���`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������`�������(�������(�������h��������`������� ������ ������`�������`������@(������@h�������@h�������@(������@h�������@h�������� ������`�������(�������(������������������������������� � � ������ � �������(��� �����������(��� ��������������������h���h���h�� h� !h��"�"#�"$��"%��!�h�B������! �������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:32:26Z</structure-indexed-at> </compound>