44385 <common-name>Pyridinium, 1-[4-[[4-[2-[5-(acetylamino)-2-methoxy-4-[2-(3,6,8-trisulfo-2-naphthalenyl)diazenyl]phenyl]diazenyl]-8-sulfo-1-naphthalenyl]amino]-6-amino-1,3,5-triazin-2-yl]-3-carboxy-</common-name> <description>Pyridinium, 1-[4-[[4-[2-[5-(acetylamino)-2-methoxy-4-[2-(3,6,8-trisulfo-2-naphthalenyl)diazenyl]phenyl]diazenyl]-8-sulfo-1-naphthalenyl]amino]-6-amino-1,3,5-triazin-2-yl]-3-carboxy- belongs to the naphthalene sulfonic acids and derivatives, a subclass of naphthalenes within the organic compounds. It is a benzenoid with the formula C38H30N11O16S4. With an average molecular weight of 1,025 g/mol, Pyridinium, 1-[4-[[4-[2-[5-(acetylamino)-2-methoxy-4-[2-(3,6,8-trisulfo-2-naphthalenyl)diazenyl]phenyl]diazenyl]-8-sulfo-1-naphthalenyl]amino]-6-amino-1,3,5-triazin-2-yl]-3-carboxy- is a heavy molecule.</description> <cas>1316184-44-7</cas> <pubchem-id>89803079</pubchem-id> <chemical-formula>C38H30N11O16S4</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">2016-06-03T10:47:18Z</created-at> <updated-at type="dateTime">2026-03-26T20:03:01Z</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>COC1=C(C=C(N=C(C)O)C(=C1)N=NC1=CC2=C(C=C(C=C2C=C1S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)N=NC1=C2C=CC=C(C2=C(C=C1)N=C1NC(=N)N=C(N1)[N+]1=CC=CC(=C1)C(O)=O)S(O)(=O)=O</moldb-smiles> <moldb-formula>C38H30N11O16S4</moldb-formula> <moldb-inchi>InChI=1S/C38H29N11O16S4/c1-18(50)40-26-15-28(30(65-2)16-27(26)46-48-29-14-23-20(12-33(29)69(62,63)64)11-21(66(53,54)55)13-32(23)68(59,60)61)47-45-24-8-9-25(34-22(24)6-3-7-31(34)67(56,57)58)41-37-42-36(39)43-38(44-37)49-10-4-5-19(17-49)35(51)52/h3-17H,1-2H3,(H8-,39,40,41,42,43,44,47,48,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64)/p+1</moldb-inchi> <moldb-inchikey>FXDZGEHGDLOBCJ-UHFFFAOYSA-O</moldb-inchikey> <moldb-average-mass type="decimal">1024.96</moldb-average-mass> <moldb-mono-mass type="decimal">1024.074935046</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>CHEM043280</chemdb-id> <dsstox-id>DTXSID101023668</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00002157</stoff-ident-id> <susdat-id>NS00002077</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>422.54999999999995</moldb-polar-surface-area> <moldb-refractivity>261.6282000000001</moldb-refractivity> <moldb-polarizability>98.84821351639376</moldb-polarizability> <moldb-rotatable-bond-count>13</moldb-rotatable-bond-count> <moldb-acceptor-count>26</moldb-acceptor-count> <moldb-donor-count>9</moldb-donor-count> <moldb-pka-strongest-acidic>-3.4906394437187886</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-5.925825445236296</moldb-pka-strongest-basic> <moldb-physiological-charge>-5</moldb-physiological-charge> <moldb-number-of-rings>7</moldb-number-of-rings> <moldb-alogps-logp>-0.13</moldb-alogps-logp> <moldb-alogps-logs>-4.82</moldb-alogps-logs> <moldb-alogps-solubility>1.61e-02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Naphthalenes</klass> <subklass>Naphthalene sulfonic acids and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0117457</sync-id> <structure-inchikey>FXDZGEHGDLOBCJ-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>200000000002010000000000000200000000000000009000000000000040001020000000000500008022000000200480100000008000008100000000000000000000108000000000800010012000002000000000010000000400000000800000000001000000084000000010000010080000120000040200000090100040000100004800000080020020000020000000000000000004000000000000018000040000040000000004000008400000012000000000000008800102000000008000000004004000000400000000200020000212000000100000420000000000000000000000000100004000000001048000000000002000c010000000000000</structure-fingerprint> 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type="dateTime">2026-09-19T04:12:00Z</structure-indexed-at> </compound>