111802 <common-name>Penicillamine DL-form hydrochloride</common-name> <description>Penicillamine DL-form hydrochloride belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the formula C5H12ClNO2S and an average molecular weight of 185.67 g/mol.</description> <cas>22572-05-0</cas> <pubchem-id>12278514</pubchem-id> <chemical-formula>C5H12ClNO2S</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">2026-04-05T19:50:44Z</created-at> <updated-at type="dateTime">2026-04-05T19:50:44Z</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.CC(C)(S)[C@H](N)C(O)=O</moldb-smiles> <moldb-formula>C5H12ClNO2S</moldb-formula> <moldb-inchi>InChI=1S/C5H11NO2S.ClH/c1-5(2,9)3(6)4(7)8;/h3,9H,6H2,1-2H3,(H,7,8);1H/t3-;/m1./s1</moldb-inchi> <moldb-inchikey>CZDHUFYOXKHLME-AENDTGMFSA-N</moldb-inchikey> <moldb-average-mass type="decimal">185.67</moldb-average-mass> <moldb-mono-mass type="decimal">185.0277273</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>11518180</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>CHEM107695</chemdb-id> <dsstox-id>DTXSID30177097</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00083768</susdat-id> <iupac>3-Sulfanyl-L-valine--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>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer">2</paper-count> <sync-id>CED0054638</sync-id> <structure-inchikey>CZDHUFYOXKHLME-AENDTGMFSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000000100002000000000000040000000000000040000000000000000000000000000000000000004800000000000000000000000000000000000000000002000000000000000000020000000000000000000000000000000002000010000000000000000000000000000000000000000000000000000000000000440000000000000000000000000001000000000000000000000000000000000000000000000000000000000000000200000000000000000000000000020000000000000000000000000000000000000000000000000000000000040000000000000000800000000000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAKAAAACAAAAIABEQBAAAAAAQYAYAAAAAED BgAgAAAABAYAYAAAAAEDEABgAAAAAQEGIDQAAAACAQQHAGAAAAABAgYAKAAA AAMECABoAAAAAwEBCAAoAAAAAwILAQIAAgMAAgQAAgUABQYABQcABwggBwko AkIAAAAAFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:43:38Z</structure-indexed-at> </compound>