137118 <common-name>Dinalbuphine sebacate</common-name> <description>Dinalbuphine sebacate belongs to the phenanthrenes and derivatives, a class of benzenoids within the organic compounds. It has the chemical formula C52H68N2O10. With an average molecular weight of 881.12 g/mol, Dinalbuphine sebacate is a heavy molecule.</description> <cas>311768-81-7</cas> <pubchem-id>9962795</pubchem-id> <chemical-formula>C52H68N2O10</chemical-formula> <weight>881.1</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">2026-04-14T20:14:38Z</created-at> <updated-at type="dateTime">2026-08-22T19:31:15Z</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>DB15341</drugbank-id> <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>O[C@H]1CC[C@@]2(O)[C@H]3CC4=CC=C(OC(=O)CCCCCCCCC(=O)OC5=C6O[C@H]7[C@@H](O)CC[C@@]8(O)[C@H]9CC(C=C5)=C6[C@@]78CCN9CC5CCC5)C5=C4[C@@]2(CCN3CC2CCC2)[C@H]1O5</moldb-smiles> <moldb-formula>C52H68N2O10</moldb-formula> <moldb-inchi>InChI=1S/C52H68N2O10/c55-35-19-21-51(59)39-27-33-15-17-37(45-43(33)49(51,47(35)63-45)23-25-53(39)29-31-9-7-10-31)61-41(57)13-5-3-1-2-4-6-14-42(58)62-38-18-16-34-28-40-52(60)22-20-36(56)48-50(52,44(34)46(38)64-48)24-26-54(40)30-32-11-8-12-32/h15-18,31-32,35-36,39-40,47-48,55-56,59-60H,1-14,19-30H2/t35-,36-,39+,40+,47-,48-,49-,50-,51+,52+/m0/s1</moldb-inchi> <moldb-inchikey>ALOIOAGKUOQNID-ITCIXCFHSA-N</moldb-inchikey> <moldb-average-mass type="decimal">881.12</moldb-average-mass> <moldb-mono-mass type="decimal">880.487396398</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.94</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>CHEM133011</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>(1S,5R,13R,14S,17S)-4-(cyclobutylmethyl)-14,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-10-yl (1S,5R,13R,14S,17S)-4-(cyclobutylmethyl)-14,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-trien-10-yl decanedioate</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>Benzenoids</superklass> <klass>Phenanthrenes and derivatives</klass> <subklass nil="true"/> <paper-count type="integer">26</paper-count> <sync-id>CED0027957</sync-id> <structure-inchikey>ALOIOAGKUOQNID-ITCIXCFHSA-N</structure-inchikey> 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