17926 <common-name>Pancuronium bromide</common-name> <description nil="true"/> <cas>15500-66-0</cas> <pubchem-id>14932060</pubchem-id> <chemical-formula>C35H60Br2N2O4</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">2016-05-22T03:44:42Z</created-at> <updated-at type="dateTime">2026-04-05T17:04:39Z</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>[Br-].[Br-].[H][C@@]1(C[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@]([H])(OC(C)=O)[C@]([H])(C[C@]4(C)[C@@]3([H])CC[C@]2(C)[C@@]1([H])OC(C)=O)[N+]1(C)CCCCC1)[N+]1(C)CCCCC1</moldb-smiles> <moldb-formula>C35H60Br2N2O4</moldb-formula> <moldb-inchi>InChI=1S/C35H60N2O4.2BrH/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36;;/h26-33H,7-23H2,1-6H3;2*1H/q+2;;/p-2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-;;/m0../s1</moldb-inchi> <moldb-inchikey>NPIJXCQZLFKBMV-YTGGZNJNSA-L</moldb-inchikey> <moldb-average-mass type="decimal">732.67</moldb-average-mass> <moldb-mono-mass type="decimal">730.291983712</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>25453</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>CHEM016821</chemdb-id> <dsstox-id>DTXSID9023415</dsstox-id> <toxcast-id>23415</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00078176</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>52.60000000000001</moldb-polar-surface-area> <moldb-refractivity>185.22199999999995</moldb-refractivity> <moldb-polarizability>69.25956492539385</moldb-polarizability> <moldb-rotatable-bond-count>6</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-6.717408202028832</moldb-pka-strongest-basic> <moldb-physiological-charge>2</moldb-physiological-charge> <moldb-number-of-rings>6</moldb-number-of-rings> <moldb-alogps-logp>0.76</moldb-alogps-logp> <moldb-alogps-logs>-7.83</moldb-alogps-logs> <moldb-alogps-solubility>1.09e-05 g/l</moldb-alogps-solubility> </compound>