17374 <common-name>Colcemid</common-name> <description nil="true"/> <cas>477-30-5</cas> <pubchem-id>220401</pubchem-id> <chemical-formula>C21H25NO5</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">2016-05-22T03:25:18Z</created-at> <updated-at type="dateTime">2026-05-14T19:32:09Z</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>DB13318</drugbank-id> <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>[H][C@@]1(CCC2=CC(OC)=C(OC)C(OC)=C2C2=CC=C(OC)C(=O)C=C12)NC</moldb-smiles> <moldb-formula>C21H25NO5</moldb-formula> <moldb-inchi>InChI=1S/C21H25NO5/c1-22-15-8-6-12-10-18(25-3)20(26-4)21(27-5)19(12)13-7-9-17(24-2)16(23)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3/t15-/m0/s1</moldb-inchi> <moldb-inchikey>NNJPGOLRFBJNIW-HNNXBMFYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">371.433</moldb-average-mass> <moldb-mono-mass type="decimal">371.173272909</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.08</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>191135</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>CHEM016269</chemdb-id> <dsstox-id>DTXSID7020342</dsstox-id> <toxcast-id>20342</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00031719</susdat-id> <iupac>(10S)-3,4,5,14-tetramethoxy-10-(methylamino)tricyclo[9.5.0.0²,⁷]hexadeca-1(16),2,4,6,11,14-hexaen-13-one</iupac> <moldb-polar-surface-area>66.02000000000001</moldb-polar-surface-area> <moldb-refractivity>106.70639999999999</moldb-refractivity> <moldb-polarizability>40.25226100481817</moldb-polarizability> <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count> <moldb-acceptor-count>6</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>16.95792944995127</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>9.696083981547261</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>2.52</moldb-alogps-logp> <moldb-alogps-logs>-4.06</moldb-alogps-logs> <moldb-alogps-solubility>3.20e-02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Hydrocarbon derivatives</superklass> <klass>Tropones</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> </compound>