<?xml version="1.0" encoding="UTF-8"?>
<compound>
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  <title nil="true"/>
  <common-name>Aminoguanidine hemisulfate</common-name>
  <description nil="true"/>
  <cas>996-19-0</cas>
  <pubchem-id>13642525</pubchem-id>
  <chemical-formula>C2H14N8O4S</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">2016-05-22T05:27:44Z</created-at>
  <updated-at type="dateTime">2026-04-05T17:47:26Z</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>NNC(N)=N.NNC(N)=N.OS(O)(=O)=O</moldb-smiles>
  <moldb-formula>C2H14N8O4S</moldb-formula>
  <moldb-inchi>InChI=1S/2CH6N4.H2O4S/c2*2-1(3)5-4;1-5(2,3)4/h2*4H2,(H4,2,3,5);(H2,1,2,3,4)</moldb-inchi>
  <moldb-inchikey>VKGQPUZNCZPZKI-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">246.25</moldb-average-mass>
  <moldb-mono-mass type="decimal">246.085872137</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>2016693</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>CHEM018696</chemdb-id>
  <dsstox-id>DTXSID0046016</dsstox-id>
  <toxcast-id>46016</toxcast-id>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00079939</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>87.92</moldb-polar-surface-area>
  <moldb-refractivity>40.8357</moldb-refractivity>
  <moldb-polarizability>6.892945980904637</moldb-polarizability>
  <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count>
  <moldb-acceptor-count>4</moldb-acceptor-count>
  <moldb-donor-count>4</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>12.01256734572811</moldb-pka-strongest-basic>
  <moldb-physiological-charge>1</moldb-physiological-charge>
  <moldb-number-of-rings>0</moldb-number-of-rings>
  <moldb-alogps-logp>-2.44</moldb-alogps-logp>
  <moldb-alogps-logs>-0.68</moldb-alogps-logs>
  <moldb-alogps-solubility>2.06e+01 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic acids and derivatives</superklass>
  <klass>Organic sulfuric acids and derivatives</klass>
  <subklass nil="true"/>
  <paper-count type="integer">111</paper-count>
  <sync-id>CED0018431</sync-id>
  <structure-inchikey>VKGQPUZNCZPZKI-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000000000000000000000000000000000020000000000000000000000000000000000000000000000000000000000008000000100000020000000000000000000000000000080000000010000000000000000002000000000000000000000000000000000000000000000000000000080000000000080001000000000000000000000000000000000000000000000000000000000000000000000100000080000000000000000000000000000000000000000000000000000000400000000000000000000002000000000000000000000000000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������h��������(�������h��������h��������`�������h��������(�������h��������h��������`������� ������`�������(�������(����������� �� ��(������ �� �	(�
������������B��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:07:48Z</structure-indexed-at>
</compound>
