19791 <common-name>Rifaximin</common-name> <description nil="true"/> <cas>80621-81-4</cas> <pubchem-id>6436173</pubchem-id> <chemical-formula>C43H51N3O11</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">2016-05-22T05:27:13Z</created-at> <updated-at type="dateTime">2026-05-14T16:58:50Z</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>DB01220</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]\C1=C([H])\[C@]([H])(OC)[C@@]([H])(C)[C@@]([H])(OC(C)=O)[C@]([H])(C)[C@]([H])(O)[C@]([H])(C)[C@@]([H])(O)[C@@]([H])(C)\C([H])=C(\[H])/C(/[H])=C(C)\C(O)=NC2=C(O)C3=C(C4=C2N2C=CC(C)=CC2=N4)C2=C(O[C@](C)(O1)C2=O)C(C)=C3O</moldb-smiles> <moldb-formula>C43H51N3O11</moldb-formula> <moldb-inchi>InChI=1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53)/b12-11-,17-15-,21-13-/t20-,22+,23+,24+,27-,35-,36+,39+,43-/m0/s1</moldb-inchi> <moldb-inchikey>NZCRJKRKKOLAOJ-LGPAXTBISA-N</moldb-inchikey> <moldb-average-mass type="decimal">785.891</moldb-average-mass> <moldb-mono-mass type="decimal">785.352359474</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.59</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>23975968</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>CHEM018686</chemdb-id> <dsstox-id>DTXSID7045998</dsstox-id> <toxcast-id>45998</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00000024</susdat-id> <iupac>(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,36-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22,30-octamethyl-6,23-dioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.1^{4,7}.0^{5,35}.0^{26,34}.0^{27,32}]heptatriaconta-1,3,5(35),9,19,21,25(36),26(34),28,30,32-undecaen-13-yl acetate</iupac> <moldb-polar-surface-area>201.86999999999998</moldb-polar-surface-area> <moldb-refractivity>217.4477000000001</moldb-refractivity> <moldb-polarizability>83.00708754205615</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>12</moldb-acceptor-count> <moldb-donor-count>5</moldb-donor-count> <moldb-pka-strongest-acidic>-1.9880517877121013</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>15.280918834028503</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>6</moldb-number-of-rings> <moldb-alogps-logp>5.14</moldb-alogps-logp> <moldb-alogps-logs>-5.00</moldb-alogps-logs> <moldb-alogps-solubility>7.86e-03 g/l</moldb-alogps-solubility> </compound>