N,N'-bis[4-(acridin-9-ylamino)-3-methoxy-phenyl]pentane-1,5-disulfonamide; methanesulfonic acid; hydrate
Molecular Formula:
C47H52N6O13S4
InChI: InChI=1/C45H42N6O6S2.2CH4O3S.H2O/c1-56-42-28-30(22-24-40(42)48-44-32-14-4-8-18-36(32)46-37-19-9-5-15-33(37)44)50-58(52,53)26-12-3-13-27-59(54,55)51-31-23-25-41(43(29-31)57-2)49-45-34-16-6-10-20-38(34)47-39-21-11-7-17-35(39)45;2*1-5(2,3)4;/h4-11,14-25,28-29,50-51H,3,12-13,26-27H2,1-2H3,(H,46,48)(H,47,49);2*1H3,(H,2,3,4);1H2/f/h48-49H;2*2H;
InChIKey: InChIKey=VHWIMFBLDHIUTC-SIYOKIFLCV
SMILES: COC1=C(C=CC(=C1)NS(=O)(=O)CCCCCS(=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
Names:
N,N'-bis[4-(acridin-9-ylamino)-3-methoxy-phenyl]pentane-1,5-disulfonamide; methanesulfonic acid; hydrate
Registries:
PubChem CID 149391
PubChem ID 10250333
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