pentamidine isethionate

Properties Image MNX_ID MNXM107640 reference chebi:7977 formula C23H36N4O10S2 global charge 0 mol weight 592.693 InChIKey YBVNFKZSMZGRAD-UHFFFAOYSA-N InChI InChI=1S/C19H24N4O2.2C2H6O4S/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23;2*3-1-2-7(4,5)6/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23);2*3H,1-2H2,(H,4,5,6) SMILES N=C(N)C1=CC=C(OCCCCCOC2=CC=C(C(=N)N)C=C2)C=C1.O=S(=O)(O)CCO.O=S(=O)(O)CCO MNX internals InChI (mnx) InChI=1/C19H24N4O2.2C2H6O4S/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23;2*3-1-2-7(4,5)6/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23);2*3H,1-2H2,(H,4,5,6) SMILES (mnx) [CH2:1]([CH2:2][CH2:12][O:24][C:16]1=[CH:9][CH:5]=[C:14]([C:18]([NH2:20])=[NH:21])[CH:4]=[CH:8]1)[CH2:3][CH2:13][O:25][C:17]1=[CH:11][CH:7]=[C:15]([C:19]([NH2:22])=[NH:23])[CH:6]=[CH:10]1.[CH2:26]([CH2:27][S:32]([OH:29])(=[O:30])=[O:31])[OH:28].[CH2:33]([CH2:34][S:39]([OH:36])(=[O:37])=[O:38])[OH:35]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0