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Chemical structure of Oxitropium Bromide

GC32049

Oxitropium Bromide

Also known as [(1R,2R,4S,5S)-9-ethyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate bromide

Oxitropium bromide is an mAChR antagonist used as an anticholinergic bronchodilator drug for the treatment of asthma and chronic obstructive pulmonary disease

ChemicalCAS30286-75-0MW412.32FormulaC19H26BrNO4
CAS number
30286-75-0
Molecular weight
412.32
Formula
C19H26BrNO4
Solubility
Soluble in DMSO
InChIKey
LCELQERNWLBPSY-YAYGZGPXSA-M
Catalogue number
GC32049
Brand
GLPBIO
Computed properties PubChem CID 6917865 · TPSA 59.1 Ų · H-bond donors 1 · H-bond acceptors 5
TPSA
59.1 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
25

SMILES CC[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C.[Br-]

Computed descriptors from PubChem (CID 6917865), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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