20441 <common-name>Riboflavin tetrabutyrate</common-name> <description nil="true"/> <cas>752-56-7</cas> <pubchem-id>92140</pubchem-id> <chemical-formula>C33H44N4O10</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">2016-05-22T06:02:05Z</created-at> <updated-at type="dateTime">2026-05-14T19:44:35Z</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>DB14727</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@](COC(=O)CCC)(OC(=O)CCC)[C@@]([H])(OC(=O)CCC)[C@]([H])(CN1C2=C(C=C(C)C(C)=C2)N=C2C(O)=NC(=O)N=C12)OC(=O)CCC</moldb-smiles> <moldb-formula>C33H44N4O10</moldb-formula> <moldb-inchi>InChI=1S/C33H44N4O10/c1-7-11-25(38)44-18-24(46-27(40)13-9-3)30(47-28(41)14-10-4)23(45-26(39)12-8-2)17-37-22-16-20(6)19(5)15-21(22)34-29-31(37)35-33(43)36-32(29)42/h15-16,23-24,30H,7-14,17-18H2,1-6H3,(H,36,42,43)/t23-,24+,30-/m0/s1</moldb-inchi> <moldb-inchikey>MJNIWUJSIGSWKK-BBANNHEPSA-N</moldb-inchikey> <moldb-average-mass type="decimal">656.733</moldb-average-mass> <moldb-mono-mass type="decimal">656.305743633</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.43</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4889</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>CHEM019336</chemdb-id> <dsstox-id>DTXSID6046892</dsstox-id> <toxcast-id>46892</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00022758</susdat-id> <iupac>(2R,3S,4S)-1,2,4-tris(butanoyloxy)-5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}pentan-3-yl butanoate</iupac> <moldb-polar-surface-area>182.81999999999994</moldb-polar-surface-area> <moldb-refractivity>170.10770000000002</moldb-refractivity> <moldb-polarizability>69.04375692034415</moldb-polarizability> <moldb-rotatable-bond-count>21</moldb-rotatable-bond-count> <moldb-acceptor-count>10</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>4.288740074967206</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-2.6640642982403695</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>3.54</moldb-alogps-logp> <moldb-alogps-logs>-4.82</moldb-alogps-logs> <moldb-alogps-solubility>9.90e-03 g/l</moldb-alogps-solubility> </compound>