<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">108547</id>
  <title nil="true"/>
  <common-name>(+)-Naloxone hydrochloride</common-name>
  <description>(+)-Naloxone hydrochloride belongs to the phenanthrenes and derivatives, a class of benzenoids within the organic compounds. It has the chemical formula C19H22ClNO4 and an average molecular weight of 363.84 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id nil="true"/>
  <chemical-formula>C19H22ClNO4</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">2026-04-05T16:01:14Z</created-at>
  <updated-at type="dateTime">2026-04-05T16:01:14Z</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.OC1=C2O[C@@H]3C(=O)CC[C@]4(O)[C@@H]5CC(C=C1)=C2[C@]34CCN5CC=C</moldb-smiles>
  <moldb-formula>C19H22ClNO4</moldb-formula>
  <moldb-inchi>InChI=1S/C19H21NO4.ClH/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11;/h2-4,14,17,21,23H,1,5-10H2;1H/t14-,17+,18+,19-;/m0./s1</moldb-inchi>
  <moldb-inchikey>RGPDIGOSVORSAK-DGSQZXNISA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">363.84</moldb-average-mass>
  <moldb-mono-mass type="decimal">363.1237359</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>CHEM104440</chemdb-id>
  <dsstox-id>DTXSID20219197</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00076219</susdat-id>
  <iupac>(5beta,9alpha,13alpha,14alpha)-3,14-Dihydroxy-17-(prop-2-en-1-yl)-4,5-epoxymorphinan-6-one--hydrogen chloride (1/1)</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Phenanthrenes and derivatives</klass>
  <subklass nil="true"/>
  <paper-count type="integer">39694</paper-count>
  <sync-id>CED0001583</sync-id>
  <structure-inchikey>RGPDIGOSVORSAK-DGSQZXNISA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000000000000000000010000000000000000000120010000000000200004000000000000000000000000000000000000000000000001000000000000000060800000200200000000000002000000000000030040000000000000000000000000020108000000000000000000100001000008000000000080040000000020200200000000400000080000000000009200000000000000000200080000000000000000000000108000210000000020000000000800002100000000040080000000000000000000200200c00000200000800800000000000040000000000000000000000000080000000002000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���@������h�������@(������@(�������(������ 4��������(�������(�������`�������`������ $�������`������ 4��������`������@(������@h�������@h�������@(������ $�������`�������`������� ������`�������h��������h��������� ��h��� ��������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T04:43:08Z</structure-indexed-at>
</compound>
