colesevelam

Properties Image MNX_ID MNXM47502 reference chebi:59594 formula C38H81ClN6O*10 global charge 0 mol weight   InChIKey   InChI   SMILES [*]CC([*])CN.[*]CC([*])CNCC(O)CNCC([*])C[*].[*]CC([*])CNCCCCCCCCCCC.[*]CC([*])CNCCCCCC[N+](C)(C)C.[Cl-] MNX internals InChI (mnx) InChI=1/C16H35N.C14H33N2.C13H30N2O.C5H13N.ClH/c1-4-6-7-8-9-10-11-12-13-14-17-15-16(3)5-2;1-6-14(2)13-15-11-9-7-8-10-12-16(3,4)5;1-5-11(3)7-14-9-13(16)10-15-8-12(4)6-2;1-3-5(2)4-6;/h16-17H,4-15H2,1-3H3;14-15H,6-13H2,1-5H3;11-16H,5-10H2,1-4H3;5H,3-4,6H2,1-2H3;1H/q;+1;;;/t16?;14?;11?,12?,13?;5?;/i2+1,3+1;1+1,2+1;1+1,2+1,3+1,4+1;1+1,2+1; SMILES (mnx) [13CH3:18][CH2:23][CH:31]([13CH3:19])[CH2:30][NH:32][CH2:28][CH2:26][CH2:24][CH2:25][CH2:27][CH2:29][N+:33]([CH3:20])([CH3:21])[CH3:22].[13CH3:34][CH2:38][CH:44]([13CH3:36])[CH2:40][NH:47][CH2:42][CH:46]([CH2:43][NH:48][CH2:41][CH:45]([13CH3:37])[CH2:39][13CH3:35])[OH:49].[13CH3:50][CH2:52][CH:54]([13CH3:51])[CH2:53][NH2:55].[CH3:1][CH2:4][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][NH:17][CH2:15][CH:16]([13CH3:3])[CH2:5][13CH3:2].[ClH:56]

Parent-child relations graph

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