20900 <common-name>Mivacurium</common-name> <description nil="true"/> <cas>133814-19-4</cas> <pubchem-id>5281042</pubchem-id> <chemical-formula>C58H80N2O14</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">2016-05-22T06:30:16Z</created-at> <updated-at type="dateTime">2026-05-14T16:58:53Z</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>DB01226</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>COC1=CC(C[C@@H]2C3=CC(OC)=C(OC)C=C3CC[N+]2(C)CCCOC(=O)CC\C=C\CCC(=O)OCCC[N+]2(C)CCC3=CC(OC)=C(OC)C=C3[C@H]2CC2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC</moldb-smiles> <moldb-formula>C58H80N2O14</moldb-formula> <moldb-inchi>InChI=1S/C58H80N2O14/c1-59(25-21-41-35-47(63-3)49(65-5)37-43(41)45(59)29-39-31-51(67-7)57(71-11)52(32-39)68-8)23-17-27-73-55(61)19-15-13-14-16-20-56(62)74-28-18-24-60(2)26-22-42-36-48(64-4)50(66-6)38-44(42)46(60)30-40-33-53(69-9)58(72-12)54(34-40)70-10/h13-14,31-38,45-46H,15-30H2,1-12H3/q+2/b14-13+/t45-,46-,59?,60?/m1/s1</moldb-inchi> <moldb-inchikey>ILVYCEVXHALBSC-OTBYEXOQSA-N</moldb-inchikey> <moldb-average-mass type="decimal">1029.2608</moldb-average-mass> <moldb-mono-mass type="decimal">1028.560955278</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.76</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4444509</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>CHEM019795</chemdb-id> <dsstox-id>DTXSID6048333</dsstox-id> <toxcast-id>48333</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00007657</susdat-id> <iupac>(1R)-2-(3-{[(4E)-8-{3-[(1R)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propoxy}-8-oxooct-4-enoyl]oxy}propyl)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium</iupac> <moldb-polar-surface-area>144.90000000000003</moldb-polar-surface-area> <moldb-refractivity>308.7439999999999</moldb-refractivity> <moldb-polarizability>116.68258620365387</moldb-polarizability> <moldb-rotatable-bond-count>30</moldb-rotatable-bond-count> <moldb-acceptor-count>12</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>18.588257157993706</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-4.119794035665876</moldb-pka-strongest-basic> <moldb-physiological-charge>2</moldb-physiological-charge> <moldb-number-of-rings>6</moldb-number-of-rings> <moldb-alogps-logp>3.80</moldb-alogps-logp> <moldb-alogps-logs>-7.53</moldb-alogps-logs> <moldb-alogps-solubility>3.26e-05 g/l</moldb-alogps-solubility> </compound>