Pirbuterol hydrochloride

Properties Image MNX_ID MNXM160274 reference chebi:32012 formula C12H22Cl2N2O3 global charge 0 mol weight 313.225 InChIKey XIDFCZTVVCWBGN-UHFFFAOYSA-N InChI InChI=1S/C12H20N2O3.2ClH/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8;;/h4-5,11,13,15-17H,6-7H2,1-3H3;2*1H SMILES CC(C)(C)NCC(O)C1=NC(CO)=C(O)C=C1.Cl.Cl MNX internals InChI (mnx) InChI=1/C12H20N2O3.2ClH/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8;;/h4-5,11,13,15-17H,6-7H2,1-3H3;2*1H/t11?;; SMILES (mnx) [CH3:1][C:12]([CH3:2])([CH3:3])[NH:13][CH2:6][CH:11]([C:8]1=[N:14][C:9]([CH2:7][OH:15])=[C:10]([OH:16])[CH:5]=[CH:4]1)[OH:17].[ClH:18].[ClH:19]

Parent-child relations graph

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