19216 <common-name>Minocycline</common-name> <description nil="true"/> <cas>10118-90-8</cas> <pubchem-id>54687237</pubchem-id> <chemical-formula>C23H27N3O7</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">2016-05-22T05:00:12Z</created-at> <updated-at type="dateTime">2026-05-14T16:55:57Z</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>DB01017</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@@]12CC3=C(C(O)=CC=C3N(C)C)C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2</moldb-smiles> <moldb-formula>C23H27N3O7</moldb-formula> <moldb-inchi>InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1</moldb-inchi> <moldb-inchikey>DYKFCLLONBREIL-KVUCHLLUSA-N</moldb-inchikey> <moldb-average-mass type="decimal">457.4764</moldb-average-mass> <moldb-mono-mass type="decimal">457.184900233</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-2.6</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>16735907</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>CHEM018111</chemdb-id> <dsstox-id>DTXSID1045033</dsstox-id> <toxcast-id>45033</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00007904</susdat-id> <iupac>(4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide</iupac> <moldb-polar-surface-area>164.63000000000002</moldb-polar-surface-area> <moldb-refractivity>122.54019999999993</moldb-refractivity> <moldb-polarizability>45.89716919215125</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>9</moldb-acceptor-count> <moldb-donor-count>5</moldb-donor-count> <moldb-pka-strongest-acidic>-2.255174634765047</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>8.250042151008117</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>-0.03</moldb-alogps-logp> <moldb-alogps-logs>-2.17</moldb-alogps-logs> <moldb-alogps-solubility>3.07e+00 g/l</moldb-alogps-solubility> </compound>