Haloperidol glucuronide

Properties Image MNX_ID MNXM156495 reference chebi:185622 formula C27H31ClFNO8 global charge 0 mol weight 551.995 InChIKey ZFNLYKVTHNLKNZ-AMWBNRJOSA-N InChI InChI=1S/C27H31ClFNO8/c28-18-7-5-17(6-8-18)27(38-26-23(34)21(32)22(33)24(37-26)25(35)36)11-14-30(15-12-27)13-1-2-20(31)16-3-9-19(29)10-4-16/h3-10,21-24,26,32-34H,1-2,11-15H2,(H,35,36)/t21-,22-,23+,24-,26-/m0/s1 SMILES O=C(CCCN1CCC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)(C2=CC=C(Cl)C=C2)CC1)C1=CC=C(F)C=C1 MNX internals InChI (mnx) InChI=1/C27H31ClFNO8/c28-18-7-5-17(6-8-18)27(38-26-23(34)21(32)22(33)24(37-26)25(35)36)11-14-30(15-12-27)13-1-2-20(31)16-3-9-19(29)10-4-16/h3-10,21-24,26,32-34H,1-2,11-15H2,(H,35,36)/t21-,22-,23+,24-,26-/m0/s1 SMILES (mnx) [CH2:1]([CH2:2][C:20]([C:16]1=[CH:4][CH:10]=[C:19]([F:29])[CH:9]=[CH:3]1)=[O:31])[CH2:13][N:30]1[CH2:14][CH2:11][C:27]([C:17]2=[CH:6][CH:8]=[C:18]([Cl:28])[CH:7]=[CH:5]2)([O:38][C@H:26]2[C@H:23]([OH:34])[C@@H:21]([OH:32])[C@H:22]([OH:33])[C@@H:24]([C:25](=[O:35])[OH:36])[O:37]2)[CH2:12][CH2:15]1

Parent-child relations graph

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