21236 <common-name>Morphine sulfate pentahydrate</common-name> <description nil="true"/> <cas>6211-15-0</cas> <pubchem-id nil="true"/> <chemical-formula>C34H50N2O15S</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">2016-05-22T06:49:24Z</created-at> <updated-at type="dateTime">2026-04-05T15:59:40Z</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>O.O.O.O.O.OS(O)(=O)=O.[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@]2([H])O.[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@]2([H])O</moldb-smiles> <moldb-formula>C34H50N2O15S</moldb-formula> <moldb-inchi>InChI=1S/2C17H19NO3.H2O4S.5H2O/c2*1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;1-5(2,3)4;;;;;/h2*2-5,10-11,13,16,19-20H,6-8H2,1H3;(H2,1,2,3,4);5*1H2/t2*10-,11+,13-,16-,17-;;;;;;/m00....../s1</moldb-inchi> <moldb-inchikey>GRVOTVYEFDAHCL-RTSZDRIGSA-N</moldb-inchikey> <moldb-average-mass type="decimal">758.83</moldb-average-mass> <moldb-mono-mass type="decimal">758.293190092</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>CHEM020131</chemdb-id> <dsstox-id>DTXSID1048914</dsstox-id> <toxcast-id>48914</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00076197</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>52.93000000000001</moldb-polar-surface-area> <moldb-refractivity>80.1224</moldb-refractivity> <moldb-polarizability>30.005685392898705</moldb-polarizability> <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>10.255609777844809</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>9.121584985349962</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>10</moldb-number-of-rings> <moldb-alogps-logp>0.99</moldb-alogps-logp> <moldb-alogps-logs>-1.45</moldb-alogps-logs> <moldb-alogps-solubility>1.02e+01 g/l</moldb-alogps-solubility> </compound>