45164 <common-name>methadol</common-name> <description nil="true"/> <cas>545-90-4</cas> <pubchem-id>28397</pubchem-id> <chemical-formula>C21H29NO</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">2016-06-03T11:38:27Z</created-at> <updated-at type="dateTime">2026-03-26T20:28:38Z</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>CCC(O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C21H29NO</moldb-formula> <moldb-inchi>InChI=1S/C21H29NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20,23H,5,16H2,1-4H3</moldb-inchi> <moldb-inchikey>QIRAYNIFEOXSPW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">311.469</moldb-average-mass> <moldb-mono-mass type="decimal">311.224914558</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>26418</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>CHEM044059</chemdb-id> <dsstox-id>DTXSID40110031</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>Frost & Griffiths 2008 "EMCDDA INSIGHTS: Assessing illic drugs in wastewater</stoff-ident-origin> <stoff-ident-id>SI00004895</stoff-ident-id> <susdat-id>NS00002679</susdat-id> <iupac>6-(dimethylamino)-4,4-diphenylheptan-3-ol</iupac> </compound>