19633 <common-name>Butaclamol hydrochloride</common-name> <description nil="true"/> <cas>36504-94-6</cas> <pubchem-id nil="true"/> <chemical-formula>C25H32ClNO</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">2016-05-22T05:18:43Z</created-at> <updated-at type="dateTime">2016-11-09T01:15:49Z</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.[H][C@@]12C[C@@](O)(CCN1C[C@@]1([H])C3=CC=CC=C3CCC3=C1C2=CC=C3)C(C)(C)C</moldb-smiles> <moldb-formula>C25H32ClNO</moldb-formula> <moldb-inchi>InChI=1S/C25H31NO.ClH/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25;/h4-10,21-22,27H,11-16H2,1-3H3;1H/t21-,22-,25-;/m0./s1</moldb-inchi> <moldb-inchikey>QZRUMKUMFJJARD-AAJWHBHYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">397.99</moldb-average-mass> <moldb-mono-mass type="decimal">397.2172424</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>CHEM018528</chemdb-id> <dsstox-id>DTXSID0045757</dsstox-id> <toxcast-id>45757</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>(1S,6S,8S)-6-tert-butyl-3-azapentacyclo[11.8.1.0³,⁸.0⁹,²².0¹⁶,²¹]docosa-9,11,13(22),16,18,20-hexaen-6-ol hydrochloride</iupac> </compound>