N,N'-bis[4-(acridin-9-ylamino)-3-methoxy-phenyl]propane-1,3-disulfonamide; methanesulfonic acid; dihydrate
Molecular Formula:
C45H50N6O14S4
InChI: InChI=1/C43H38N6O6S2.2CH4O3S.2H2O/c1-54-40-26-28(20-22-38(40)46-42-30-12-3-7-16-34(30)44-35-17-8-4-13-31(35)42)48-56(50,51)24-11-25-57(52,53)49-29-21-23-39(41(27-29)55-2)47-43-32-14-5-9-18-36(32)45-37-19-10-6-15-33(37)43;2*1-5(2,3)4;;/h3-10,12-23,26-27,48-49H,11,24-25H2,1-2H3,(H,44,46)(H,45,47);2*1H3,(H,2,3,4);2*1H2/f/h46-47H;2*2H;;
InChIKey: InChIKey=RIYBQYRYHHGYGO-QJPXTQNCCX
SMILES: COC1=C(C=CC(=C1)NS(=O)(=O)CCCS(=O)(=O)NC2=CC(=C(C=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53)OC)NC6=C7C=CC=CC7=NC8=CC=CC=C86.CS(=O)(=O)O.CS(=O)(=O)O.O.O
Names:
N,N'-bis[4-(acridin-9-ylamino)-3-methoxy-phenyl]propane-1,3-disulfonamide; methanesulfonic acid; dihydrate
Registries:
PubChem CID 149389
PubChem ID 10250332
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