Brimonidine tartrate (JAN/USAN)

Properties Image MNX_ID MNXM103277 reference keggD:D02076 formula C15H16BrN5O6 global charge 0 mol weight 442.226 InChIKey QZHBYNSSDLTCRG-LREBCSMRSA-N InChI InChI=1S/C11H10BrN5.C4H6O6/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8;5-1(3(7)8)2(6)4(9)10/h1-4H,5-6H2,(H2,15,16,17);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1 SMILES BrC1=C(NC2=NCCN2)C=CC2=NC=CN=C21.O=C(O)[C@H](O)[C@@H](O)C(=O)O MNX internals InChI (mnx) InChI=1/C11H10BrN5.C4H6O6/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8;5-1(3(7)8)2(6)4(9)10/h1-4H,5-6H2,(H2,15,16,17);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1 SMILES (mnx) [C@@H:18]([C@H:19]([C:21](=[O:26])[OH:27])[OH:23])([C:20](=[O:24])[OH:25])[OH:22].[CH:1]1=[CH:2][C:8]2=[C:10]([C:9]([Br:12])=[C:7]1[NH:17][C:11]1=[N:15][CH2:5][CH2:6][NH:16]1)[N:14]=[CH:4][CH:3]=[N:13]2

Parent-child relations graph

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