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Tiotropium bromide

CAT: 0013-GTR19177177-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19177177-03Size:25 mg
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Description
Tiotropium bromide is a long-acting anticholinergic agent that antagonizes muscarinic M3 receptors in the airways, leading to bronchodilation for COPD management. It is widely used in respiratory research, with applications in both in vitro receptor binding studies and in vivo models of obstructive lung disease to investigate bronchodilatory mechanisms.
CAS Number
136310-93-5
Product Name Alternative
Tiopropium, Tiotropium, Tiotropium Bromide, Tiotropium bromide, BA679 BR, mAChR, Muscarinic acetylcholine receptor, Inhibitor, inhibit
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
96.82% (May vary between batches)
Solubility
PBS:50 mg/mL (105.84 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.23 mM) ; DMSO:55 mg/mL (116.42 mM)
Smiles
[Br-].C[N+]1 (C) [C@H]2CC (C[C@@H]1[C@H]1O[C@@H]21) OC (=O) C (O) (c1cccs1) c1cccs1
Molecular Formula
C19H22BrNO4S2
Molecular Weight
472.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Olodaterol/tiotropium bromide

Tiotropium bromide is an organic bromide salt having (1alpha,2beta,4beta,5alpha,7beta)-7-[(hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane as the counterion. Used (in the form of the hydrate) for maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease. It has a role as a bronchodilator agent and a muscarinic antagonist. It is a quaternary ammonium salt and an organic bromide salt.

CAS Number136310-93-5
PubChem CID5487426
IUPAC Name[(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
Molecular FormulaC19H22BrNO4S2
Molecular Weight472.4
Topological Polar Surface Area116
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity564
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-]
InChI
InChI=1S/C19H22NO4S2.BrH/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H/q+1;/p-1/t11?,12-,13+,16-,17+;
InChIKey
DQHNAVOVODVIMG-RGECMCKFSA-M
Chemical Structure
2D Structure
2D structure of Olodaterol/tiotropium bromide
CAS: 136310-93-5
CID: 5487426
Formula: C19H22BrNO4S2
MW: 472.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass471.01736
Monoisotopic Mass471.01736
Topological Polar Surface Area116 Ų
Heavy Atom Count27
Formal Charge0
Complexity564
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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RM-T201600-01Tiotropium Bromide
HY-17360-01Tiotropium (Bromide)
CS-T-95999Tiotropium Hydroxy Bromide
HY-17360R-01Tiotropium (Bromide) (Standard)
MBS6032456-01Tiotropium-d3 Bromide
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A10934-25Tiotropium Bromide 25mg
MBS579241Tiotropium Bromide hydrate

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