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Diltiazem M6 Sulphate

Properties Image MNX_ID MNXM1594184 reference vmhM:diltiam6sul vmhM:diltiam6sul formula C18H20N2O6S2 global charge 0 mol weight 424.5 InChIKey FHXFNTOCOYYLMG-UHFFFAOYSA-N InChI InChI=1S/C18H20N2O6S2/c1-19-10-11-20-14-4-2-3-5-15(14)27-17(16(21)18(20)22)12-6-8-13(9-7-12)26-28(23,24)25/h2-9,16-17,19,21H,10-11H2,1H3,(H,23,24,25) SMILES C[NH2+]CCN1C(=O)C(O)C(c2ccc(OS(=O)(=O)[O-])cc2)Sc2ccccc21 MNX internals InChI (mnx) InChI=1/C18H20N2O6S2/c1-19-10-11-20-14-4-2-3-5-15(14)27-17(16(21)18(20)22)12-6-8-13(9-7-12)26-28(23,24)25/h2-9,16-17,19,21H,10-11H2,1H3,(H,23,24,25)/t16?,17? SMILES (mnx) [CH3:1][NH:19][CH2:10][CH2:11][N:20]1[c:14]2[cH:4][cH:2][cH:3][cH:5][c:15]2[S:27][CH:17]([c:12]2[cH:6][cH:8][c:13]([O:26][S:28]([OH:23])(=[O:24])=[O:25])[cH:9][cH:7]2)[CH:16]([OH:21])[C:18]1=[O:22]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
vmhM:diltiam6sul vmhM:diltiam6sul vmhmetabolite:diltiam6sul vmhmetabolite:diltiam6sul FHXFNTOCOYYLMG-UHFFFAOYSA-N	Diltiazem M6 Sulphate
vmhM:M_diltiam6sul	secondary/obsolete/fantasy identifier