19410 <common-name>Alcuronium chloride</common-name> <description nil="true"/> <cas>15180-03-7</cas> <pubchem-id nil="true"/> <chemical-formula>C44H50Cl2N4O2</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">2016-05-22T05:08:44Z</created-at> <updated-at type="dateTime">2026-04-05T20:06:12Z</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(CO)=C1/C[N@+]2(CC=C)CC[C@]34C5=CC=CC=C5N5\C([H])=C6/[C@]7([H])N(\C([H])=C(/[C@@]35[H])[C@@]1([H])C[C@]24[H])C1=CC=CC=C1[C@@]71CC[N@@+]2(CC=C)C\C(=C(/[H])CO)[C@]6([H])C[C@@]12[H]</moldb-smiles> <moldb-formula>C44H50Cl2N4O2</moldb-formula> <moldb-inchi>InChI=1S/C44H50N4O2.2ClH/c1-3-17-47-19-15-43-35-9-5-7-11-37(35)45-26-34-32-24-40-44(16-20-48(40,18-4-2)28-30(32)14-22-50)36-10-6-8-12-38(36)46(42(34)44)25-33(41(43)45)31(23-39(43)47)29(27-47)13-21-49;;/h3-14,25-26,31-32,39-42,49-50H,1-2,15-24,27-28H2;2*1H/q+2;;/p-2/b29-13-,30-14-,33-25-,34-26-;;/t31-,32-,39-,40-,41-,42-,43+,44+,47-,48-;;/m0../s1</moldb-inchi> <moldb-inchikey>CPYGBGOXCJJJGC-GKLGUMFISA-L</moldb-inchikey> <moldb-average-mass type="decimal">737.81</moldb-average-mass> <moldb-mono-mass type="decimal">736.3310823</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>CHEM018305</chemdb-id> <dsstox-id>DTXSID0045414</dsstox-id> <toxcast-id>45414</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00084532</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>46.94</moldb-polar-surface-area> <moldb-refractivity>226.64059999999998</moldb-refractivity> <moldb-polarizability>77.42471717254074</moldb-polarizability> <moldb-rotatable-bond-count>6</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>15.298758537965227</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>1.5213322885445746</moldb-pka-strongest-basic> <moldb-physiological-charge>2</moldb-physiological-charge> <moldb-number-of-rings>11</moldb-number-of-rings> <moldb-alogps-logp>1.86</moldb-alogps-logp> <moldb-alogps-logs>-6.34</moldb-alogps-logs> <moldb-alogps-solubility>3.39e-04 g/l</moldb-alogps-solubility> </compound>