<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">20354</id>
  <title nil="true"/>
  <common-name>Valganciclovir hydrochloride</common-name>
  <description nil="true"/>
  <cas>175865-59-5</cas>
  <pubchem-id>135413534</pubchem-id>
  <chemical-formula>C14H23ClN6O5</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">2016-05-22T05:56:52Z</created-at>
  <updated-at type="dateTime">2026-04-06T10:13:13Z</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.[H]C(CO)(COC(=O)[C@@]([H])(N)C(C)C)OCN1C=NC2=C1NC(=N)N=C2O</moldb-smiles>
  <moldb-formula>C14H23ClN6O5</moldb-formula>
  <moldb-inchi>InChI=1S/C14H22N6O5.ClH/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22;/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22);1H/t8?,9-;/m0./s1</moldb-inchi>
  <moldb-inchikey>ZORWARFPXPVJLW-MTFPJWTKSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">390.83</moldb-average-mass>
  <moldb-mono-mass type="decimal">390.1418456</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>CHEM019249</chemdb-id>
  <dsstox-id>DTXSID9046784</dsstox-id>
  <toxcast-id>46784</toxcast-id>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00117953</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>168.07</moldb-polar-surface-area>
  <moldb-refractivity>97.61109999999998</moldb-refractivity>
  <moldb-polarizability>35.375290899609574</moldb-polarizability>
  <moldb-rotatable-bond-count>9</moldb-rotatable-bond-count>
  <moldb-acceptor-count>9</moldb-acceptor-count>
  <moldb-donor-count>5</moldb-donor-count>
  <moldb-pka-strongest-acidic>6.015908204244323</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>7.493187190123692</moldb-pka-strongest-basic>
  <moldb-physiological-charge>1</moldb-physiological-charge>
  <moldb-number-of-rings>2</moldb-number-of-rings>
  <moldb-alogps-logp>-1.42</moldb-alogps-logp>
  <moldb-alogps-logs>-2.14</moldb-alogps-logs>
  <moldb-alogps-solubility>2.59e+00 g/l</moldb-alogps-solubility>
</compound>
