21784 <common-name>Dabigatran etexilate</common-name> <description nil="true"/> <cas>211915-06-9</cas> <pubchem-id>9578572</pubchem-id> <chemical-formula>C34H41N7O5</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">2016-05-22T07:19:04Z</created-at> <updated-at type="dateTime">2026-05-14T18:22:57Z</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>DB06695</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>CCCCCCOC(=O)N=C(N)C1=CC=C(NCC2=NC3=C(C=CC(=C3)C(=O)N(CCC(=O)OCC)C3=CC=CC=N3)N2C)C=C1</moldb-smiles> <moldb-formula>C34H41N7O5</moldb-formula> <moldb-inchi>InChI=1S/C34H41N7O5/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44)</moldb-inchi> <moldb-inchikey>KSGXQBZTULBEEQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">627.7332</moldb-average-mass> <moldb-mono-mass type="decimal">627.316917457</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.59</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4948999</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>CHEM020679</chemdb-id> <dsstox-id>DTXSID4057681</dsstox-id> <toxcast-id>57681</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00007001</susdat-id> <iupac>ethyl 3-(1-{2-[({4-[(1E)-amino({[(hexyloxy)carbonyl]imino})methyl]phenyl}amino)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-N-(pyridin-2-yl)formamido)propanoate</iupac> <moldb-polar-surface-area>154.03</moldb-polar-surface-area> <moldb-refractivity>176.429</moldb-refractivity> <moldb-polarizability>71.1146649339797</moldb-polarizability> <moldb-rotatable-bond-count>17</moldb-rotatable-bond-count> <moldb-acceptor-count>8</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>17.89048494137254</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>3.86977496210892</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>5.17</moldb-alogps-logp> <moldb-alogps-logs>-5.13</moldb-alogps-logs> <moldb-alogps-solubility>4.66e-03 g/l</moldb-alogps-solubility> </compound>