threohydrobupropion

Properties Image MNX_ID MNXM22070 reference metacycM:CPD-3484 formula C13H21ClNO global charge 1 mol weight 242.77 InChIKey NDPTTXIBLSWNSF-SKDRFNHKSA-O InChI InChI=1S/C13H20ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,12,15-16H,1-4H3/p+1/t9-,12+/m1/s1 SMILES C[C@@H]([NH2+]C(C)(C)C)[C@H](O)C1=CC(Cl)=CC=C1 MNX internals InChI (mnx) InChI=1/C13H20ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,12,15-16H,1-4H3/t9-,12+/m1/s1 SMILES (mnx) [CH3:1][C@H:9]([C@@H:12]([C:10]1=[CH:8][C:11]([Cl:14])=[CH:7][CH:5]=[CH:6]1)[OH:16])[NH:15][C:13]([CH3:2])([CH3:3])[CH3:4]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0