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Chemical structure of Tiotropium Bromide

GC12554

Tiotropium Bromide

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

A muscarinic receptor antagonist

ChemicalCAS136310-93-5MW472.42FormulaC19H22BrNO4S2
CAS number
136310-93-5
Molecular weight
472.42
Formula
C19H22BrNO4S2
Solubility
≥ 23·62 mg/mL in DMSO, ≥ 33·07 mg/mL in Water with ultrasonic
InChIKey
DQHNAVOVODVIMG-RGECMCKFSA-M
Catalogue number
GC12554
Brand
GLPBIO
Computed properties PubChem CID 5487426 · TPSA 116 Ų · H-bond donors 1 · H-bond acceptors 7
TPSA
116 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
27

SMILES C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C.[Br-]

Computed descriptors from PubChem (CID 5487426), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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