Desvenlafaxine succinate (USAN)

Properties Image MNX_ID MNXM124319 reference keggD:D02570 formula C20H33NO7 global charge 0 mol weight 399.484 InChIKey PWPDEXVGKDEKTE-UHFFFAOYSA-N InChI InChI=1S/C16H25NO2.C4H6O4.H2O/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;5-3(6)1-2-4(7)8;/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1-2H2,(H,5,6)(H,7,8);1H2 SMILES CN(C)CC(C1=CC=C(O)C=C1)C1(O)CCCCC1.O.O=C(O)CCC(=O)O MNX internals InChI (mnx) InChI=1/C16H25NO2.C4H6O4.H2O/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;5-3(6)1-2-4(7)8;/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1-2H2,(H,5,6)(H,7,8);1H2/t15?;; SMILES (mnx) [CH2:20]([CH2:21][C:23](=[O:26])[OH:27])[C:22](=[O:24])[OH:25].[CH3:1][N:17]([CH3:2])[CH2:12][CH:15]([C:13]1=[CH:7][CH:9]=[C:14]([OH:18])[CH:8]=[CH:6]1)[C:16]1([OH:19])[CH2:10][CH2:4][CH2:3][CH2:5][CH2:11]1.[OH2:28]

Parent-child relations graph

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