19475 <common-name>Iodixanol</common-name> <description nil="true"/> <cas>92339-11-2</cas> <pubchem-id>3724</pubchem-id> <chemical-formula>C35H44I6N6O15</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">2016-05-22T05:11:42Z</created-at> <updated-at type="dateTime">2026-05-14T16:59:08Z</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>DB01249</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>CC(=O)N(CC(O)CN(C(C)=O)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I</moldb-smiles> <moldb-formula>C35H44I6N6O15</moldb-formula> <moldb-inchi>InChI=1S/C35H44I6N6O15/c1-13(52)46(30-26(38)20(32(59)42-3-15(54)9-48)24(36)21(27(30)39)33(60)43-4-16(55)10-49)7-19(58)8-47(14(2)53)31-28(40)22(34(61)44-5-17(56)11-50)25(37)23(29(31)41)35(62)45-6-18(57)12-51/h15-19,48-51,54-58H,3-12H2,1-2H3,(H,42,59)(H,43,60)(H,44,61)(H,45,62)</moldb-inchi> <moldb-inchikey>NBQNWMBBSKPBAY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">1550.1819</moldb-average-mass> <moldb-mono-mass type="decimal">1549.713275288</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-2.1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>3593</chemspider-id> <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>CHEM018370</chemdb-id> <dsstox-id>DTXSID2045523</dsstox-id> <toxcast-id>45523</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00001497</susdat-id> <iupac>5-{N-[3-(N-{3,5-bis[(2,3-dihydroxypropyl)carbamoyl]-2,4,6-triiodophenyl}acetamido)-2-hydroxypropyl]acetamido}-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide</iupac> <moldb-polar-surface-area>339.08999999999986</moldb-polar-surface-area> <moldb-refractivity>277.1618999999999</moldb-refractivity> <moldb-polarizability>111.45001253222995</moldb-polarizability> <moldb-rotatable-bond-count>22</moldb-rotatable-bond-count> <moldb-acceptor-count>15</moldb-acceptor-count> <moldb-donor-count>13</moldb-donor-count> <moldb-pka-strongest-acidic>11.43394900991981</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-3.1934730731083985</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>-2.91</moldb-alogps-logp> <moldb-alogps-logs>-3.92</moldb-alogps-logs> <moldb-alogps-solubility>1.85e-01 g/l</moldb-alogps-solubility> </compound>