46009 <common-name>1,3-bis{6-fluoro-4-[1,5-disulfo-4-(3-aminocarbonyl-1-ethyl-6-hydroxy-4-methylpyrid-2-on-5-ylazo)phenyl-2-ylamino]-1,3,5-triazin-2-ylamino}propane lithium</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C39H39F2LiN18O18S4</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">2016-06-03T12:40:30Z</created-at> <updated-at type="dateTime">2026-04-06T11:08:59Z</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 nil="true"/> <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>[Li].CCN1C(O)=C(\N=N\C2=C(C=C(C(=C2)N=C2NC(F)=NC(N2)=NCC[CH]NC2=NC(NC(F)=N2)=NC2=CC(\N=N\C3=C(O)N(CC)C(=O)C(C(O)=N)=C3C)=C(C=C2S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(C)=C(C(O)=N)C1=O</moldb-smiles> <moldb-formula>C39H39F2LiN18O18S4</moldb-formula> <moldb-inchi>InChI=1S/C39H39F2N18O18S4.Li/c1-5-58-30(62)24(28(42)60)14(3)26(32(58)64)56-54-18-10-16(20(78(66,67)68)12-22(18)80(72,73)74)46-38-50-34(40)48-36(52-38)44-8-7-9-45-37-49-35(41)51-39(53-37)47-17-11-19(23(81(75,76)77)13-21(17)79(69,70)71)55-57-27-15(4)25(29(43)61)31(63)59(6-2)33(27)65;/h8,10-13,64-65H,5-7,9H2,1-4H3,(H2,42,60)(H2,43,61)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H2,44,46,48,50,52)(H2,45,47,49,51,53);/b56-54+,57-55+;</moldb-inchi> <moldb-inchikey>FXKYPTVTSPPQBE-TWBZJHIHSA-N</moldb-inchikey> <moldb-average-mass type="decimal">1221.03</moldb-average-mass> <moldb-mono-mass type="decimal">1220.17006595</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <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>CHEM044904</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00006959</stoff-ident-id> <susdat-id>NS00121493</susdat-id> <iupac>3-{[6-({5-[(E)-2-[1-ethyl-2-hydroxy-5-(C-hydroxycarbonimidoyl)-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]diazen-1-yl]-2,4-disulfophenyl}imino)-4-fluoro-1,2,5,6-tetrahydro-1,3,5-triazin-2-ylidene]amino}-1-{[4-({5-[(E)-2-[1-ethyl-2-hydroxy-5-(C-hydroxycarbonimidoyl)-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]diazen-1-yl]-2,4-disulfophenyl}imino)-6-fluoro-4,5-dihydro-1,3,5-triazin-2-yl]amino}propyl lithium</iupac> </compound>