ipratropium bromide

PubChem Notes:

Ipratropium A muscarinic antagonist structurally related to ATROPINE but often considered safer and more effective for inhalation use. It is used for various bronchial disorders, in rhinitis, and as an antiarrhythmic.

Molecular Formula: C20H30BrNO3


InChI: InChI=1/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17?,18?,19u,21u;/m1./s1/fC20H30NO3.Br/h;1h/qm;-1

InChIKey: InChIKey=LHLMOSXCXGLMMN-PNWFFISKDD
SMILES: CC(C)[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[Br-]

Names:
    ipratropium bromide
    [(5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]oct-3-yl] 3-hydroxy-2-phenyl-propanoate bromide

Registries:
    PubChem CID 5702073
    PubChem ID 8149390