79299 <common-name>3,10-Bis((4-amino-2,5-disulphophenyl)amino)-6,13-dichlorotriphenodioxazine-4,11-disulphonic acid</common-name> <description nil="true"/> <cas>78925-22-1</cas> <pubchem-id>53471952</pubchem-id> <chemical-formula>C30H20Cl2N6O20S6</chemical-formula> <weight>1047.8</weight> <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">2026-04-04T14:02:38Z</created-at> <updated-at type="dateTime">2026-04-17T19:11:40Z</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>NC1=CC(=C(NC2=C(C3=C(C=C2)N=C2C(Cl)=C4OC5=C(C=CC(NC6=C(C=C(N)C(=C6)S(O)(=O)=O)S(O)(=O)=O)=C5S(O)(=O)=O)N=C4C(Cl)=C2O3)S(O)(=O)=O)C=C1S(O)(=O)=O)S(O)(=O)=O</moldb-smiles> <moldb-formula>C30H20Cl2N6O20S6</moldb-formula> <moldb-inchi>InChI=1S/C30H20Cl2N6O20S6/c31-21-23-27(57-25-11(37-23)1-3-13(29(25)63(51,52)53)35-15-7-17(59(39,40)41)9(33)5-19(15)61(45,46)47)22(32)24-28(21)58-26-12(38-24)2-4-14(30(26)64(54,55)56)36-16-8-18(60(42,43)44)10(34)6-20(16)62(48,49)50/h1-8,35-36H,33-34H2,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)</moldb-inchi> <moldb-inchikey>KTAOIBPHDVTOGV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">1047.77</moldb-average-mass> <moldb-mono-mass type="decimal">1045.843367</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>21163260</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>CHEM075192</chemdb-id> <dsstox-id>DTXSID00229375</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00038013</susdat-id> <iupac>3,10-bis(4-amino-2,5-disulfoanilino)-6,13-dichloro-[1,4]benzoxazino[2,3-b]phenoxazine-4,11-disulfonic acid</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> </compound>