<?xml version="1.0" encoding="UTF-8"?>
<compound>
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  <title nil="true"/>
  <common-name>Moxalactam disodium</common-name>
  <description nil="true"/>
  <cas>64953-12-4</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C20H18N6Na2O9S</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">2016-05-22T05:14:41Z</created-at>
  <updated-at type="dateTime">2026-04-05T22:11:40Z</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>[Na+].[Na+].[H]C(C(O)=O)(C([O-])=N[C@]1(OC)C(=O)N2C(C(O)=O)=C(CSC3=NN=NN3C)CO[C@]12[H])C1=CC=C([O-])C=C1</moldb-smiles>
  <moldb-formula>C20H18N6Na2O9S</moldb-formula>
  <moldb-inchi>InChI=1S/C20H20N6O9S.2Na/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9;;/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32);;/q;2*+1/p-2/t12?,18-,20+;;/m1../s1</moldb-inchi>
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  <moldb-average-mass type="decimal">564.44</moldb-average-mass>
  <moldb-mono-mass type="decimal">564.06513592</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>CHEM018425</chemdb-id>
  <dsstox-id>DTXSID0045595</dsstox-id>
  <toxcast-id>45595</toxcast-id>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00088090</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>215.44999999999996</moldb-polar-surface-area>
  <moldb-refractivity>155.32640000000006</moldb-refractivity>
  <moldb-polarizability>46.74248476175312</moldb-polarizability>
  <moldb-rotatable-bond-count>9</moldb-rotatable-bond-count>
  <moldb-acceptor-count>13</moldb-acceptor-count>
  <moldb-donor-count>2</moldb-donor-count>
  <moldb-pka-strongest-acidic>2.637793558130114</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-1.5091802387917967</moldb-pka-strongest-basic>
  <moldb-physiological-charge>-2</moldb-physiological-charge>
  <moldb-number-of-rings>4</moldb-number-of-rings>
  <moldb-alogps-logp>0.74</moldb-alogps-logp>
  <moldb-alogps-logs>-2.81</moldb-alogps-logs>
  <moldb-alogps-solubility>8.65e-01 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer">2455</paper-count>
  <sync-id>CED0005982</sync-id>
  <structure-inchikey>GRIXGZQULWMCLU-HUTAOCTPSA-L</structure-inchikey>
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  <structure-pickle>ï¾­Þ����������������&amp;���'���€�� 
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  <structure-indexed-at type="dateTime">2026-09-19T04:07:40Z</structure-indexed-at>
</compound>
