<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">20254</id>
  <title nil="true"/>
  <common-name>Mivacurium chloride</common-name>
  <description nil="true"/>
  <cas>106861-44-3</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C58H80Cl2N2O14</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">2016-05-22T05:51:34Z</created-at>
  <updated-at type="dateTime">2026-04-05T16:09:57Z</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>[Cl-].[Cl-].[H]\C(CCC(=O)OCCC[N+]1(C)CCC2=CC(OC)=C(OC)C=C2[C@@]1([H])CC1=CC(OC)=C(OC)C(OC)=C1)=C(\[H])CCC(=O)OCCC[N+]1(C)CCC2=CC(OC)=C(OC)C=C2[C@@]1([H])CC1=CC(OC)=C(OC)C(OC)=C1</moldb-smiles>
  <moldb-formula>C58H80Cl2N2O14</moldb-formula>
  <moldb-inchi>InChI=1S/C58H80N2O14.2ClH/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;2*1H/q+2;;/p-2/b14-13+;;/t45-,46-,59?,60?;;/m1../s1</moldb-inchi>
  <moldb-inchikey>WMSYWJSZGVOIJW-ONUALHDOSA-L</moldb-inchikey>
  <moldb-average-mass type="decimal">1100.18</moldb-average-mass>
  <moldb-mono-mass type="decimal">1098.4986607</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>CHEM019149</chemdb-id>
  <dsstox-id>DTXSID5046649</dsstox-id>
  <toxcast-id>46649</toxcast-id>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00076339</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>144.90000000000003</moldb-polar-surface-area>
  <moldb-refractivity>308.7439999999995</moldb-refractivity>
  <moldb-polarizability>115.14173979493376</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>4.28</moldb-alogps-logp>
  <moldb-alogps-logs>-7.55</moldb-alogps-logs>
  <moldb-alogps-solubility>3.11e-05 g/l</moldb-alogps-solubility>
</compound>
