46798 <common-name>rifamycin</common-name> <description nil="true"/> <cas>6998-60-3</cas> <pubchem-id>60907</pubchem-id> <chemical-formula>C37H47NO12</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">2016-06-03T13:35:37Z</created-at> <updated-at type="dateTime">2026-05-14T19:12:29Z</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>DB11753</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>COC1C=COC2(C)OC3=C(C2=O)C2=C(O)C=C(N=C(O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)C(O)=C2C(O)=C3C</moldb-smiles> <moldb-formula>C37H47NO12</moldb-formula> <moldb-inchi>InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)</moldb-inchi> <moldb-inchikey>HJYYPODYNSCCOU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">697.778</moldb-average-mass> <moldb-mono-mass type="decimal">697.309825957</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.17</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>16735998</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>CHEM045693</chemdb-id> <dsstox-id>DTXSID1032014</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>Arzneimittel (UBA)</stoff-ident-origin> <stoff-ident-id>SI00008767</stoff-ident-id> <susdat-id>NS00001611</susdat-id> <iupac>(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25(29),26-octaen-13-yl acetate</iupac> <moldb-polar-surface-area>204.79999999999995</moldb-polar-surface-area> <moldb-refractivity>188.5533000000001</moldb-refractivity> <moldb-polarizability>72.77449856157017</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>12</moldb-acceptor-count> <moldb-donor-count>6</moldb-donor-count> <moldb-pka-strongest-acidic>-0.9030898782130556</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>15.28093101729802</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>4.19</moldb-alogps-logp> <moldb-alogps-logs>-4.48</moldb-alogps-logs> <moldb-alogps-solubility>2.31e-02 g/l</moldb-alogps-solubility> </compound>