<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">19419</id>
  <title nil="true"/>
  <common-name>Spectinomycin dihydrochloride</common-name>
  <description nil="true"/>
  <cas>21736-83-4</cas>
  <pubchem-id>64740</pubchem-id>
  <chemical-formula>C14H26Cl2N2O7</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">2016-05-22T05:09:04Z</created-at>
  <updated-at type="dateTime">2026-04-06T01:10:51Z</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.Cl.[H][C@@]1(C)CC(=O)[C@]2(O)O[C@]3([H])[C@@]([H])(NC)[C@@]([H])(O)[C@@]([H])(NC)[C@]([H])(O)[C@@]3([H])O[C@]2([H])O1</moldb-smiles>
  <moldb-formula>C14H26Cl2N2O7</moldb-formula>
  <moldb-inchi>InChI=1S/C14H24N2O7.2ClH/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14;;/h5,7-13,15-16,18-20H,4H2,1-3H3;2*1H/t5-,7-,8+,9+,10+,11-,12-,13+,14+;;/m1../s1</moldb-inchi>
  <moldb-inchikey>FOGDPGQSHLLYIK-XYQGXRRISA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">405.27</moldb-average-mass>
  <moldb-mono-mass type="decimal">404.1117066</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>58280</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>CHEM018314</chemdb-id>
  <dsstox-id>DTXSID9045429</dsstox-id>
  <toxcast-id>45429</toxcast-id>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00093599</susdat-id>
  <iupac>(1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.0³,⁸]tetradecan-7-one dihydrochloride</iupac>
</compound>
