1'-OH-midazolam-glucuronide

Properties Image MNX_ID MNXM744407 reference biggM:1hmdgluc formula C24H21ClFN3O7 global charge 0 mol weight 517.897 InChIKey ICIUMXQTLQXWGL-UHFFFAOYSA-N InChI InChI=1S/C24H21ClFN3O7/c25-11-5-6-16-14(7-11)18(13-3-1-2-4-15(13)26)28-9-12-8-27-17(29(12)16)10-35-24-21(32)19(30)20(31)22(36-24)23(33)34/h1-8,19-22,24,30-32H,9-10H2,(H,33,34) SMILES O=C(O)C1OC(OCC2=NC=C3CN=C(C4=CC=CC=C4F)C4=CC(Cl)=CC=C4N32)C(O)C(O)C1O MNX internals InChI (mnx) InChI=1/C24H21ClFN3O7/c25-11-5-6-16-14(7-11)18(13-3-1-2-4-15(13)26)28-9-12-8-27-17(29(12)16)10-35-24-21(32)19(30)20(31)22(36-24)23(33)34/h1-8,19-22,24,30-32H,9-10H2,(H,33,34)/t19?,20?,21?,22?,24? SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:15]([F:26])[C:13]([C:18]2=[N:28][CH2:9][C:12]3=[CH:8][N:27]=[C:17]([CH2:10][O:35][CH:24]4[CH:21]([OH:32])[CH:19]([OH:30])[CH:20]([OH:31])[CH:22]([C:23](=[O:33])[OH:34])[O:36]4)[N:29]3[C:16]3=[C:14]2[CH:7]=[C:11]([Cl:25])[CH:5]=[CH:6]3)=[CH:3]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 4