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Tiotropium (Bromide) (Standard)

CAT: 0804-HY-17360R-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-17360R-01Size:5 mg
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Description
Tiotropium (Bromide) (Standard) is the analytical standard of Tiotropium (Bromide) . This product is intended for research and analytical applications. Tiotropium Bromide (BA679 BR) is a muscarinic acetylcholine receptor (mAChR) antagonist that blocks the binding of the acetylcholine ligand and subsequent opening of the ligand-gated ion channel.
CAS Number
136310-93-5
Product Name Alternative
BA679 BR (Standard)
UNSPSC
12352005
Target
MAChR; Reference Standards
Type
Reference Standards
Related Pathways
GPCR/G Protein; Neuronal Signaling; Others
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/tiotropium-bromide-standard.html
Solubility
DMSO : ≥ 30 mg/mL
Smiles
O=C(C(C1=CC=CS1)(O)C2=CC=CS2)O[C@H]3C[C@H]([N+]4(C)C)[C@@H]5O[C@@H]5[C@H]4C3.[Br-]
Molecular Formula
C19H22BrNO4S2
Molecular Weight
472.42
References & Citations
[1]Barnes PJ. Tiotropium bromide. Expert Opin Investig Drugs. 2001 Apr;10 (4) :733-40.|[2]ZuWallack AR, ZuWallack RL. Tiotropium bromide, a new, once-daily inhaled anticholinergic bronchodilator for chronic-obstructive pulmonary disease. Expert Opin Pharmacother. 2004 Aug;5 (8) :1827-35.|[3]Lipson DA. Tiotropium bromide. Int J Chron Obstruct Pulmon Dis. 2006;1 (2) :107-14.|[4]Mamary AJ, Criner GJ. Tiotropium bromide for chronic obstructive pulmonary disease. Expert Rev Respir Med. 2009 Jun;3 (3) :211-20.|[5]Szmidt M. [The influence of treatment with formoterol, formoterol with tiotropium, formoterol with inhaled glucocorticosteroid and tiotropium on lung functions, tolerance of exercise and simple, morning everyday activities in patients with chronic obstructive pulmonary disease (COPD) ]. Pneumonol Alergol Pol. 2012;80 (3) :255-62.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards
Clinical Information
Launched

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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AR-T03215-01Tiotropium bromide monohydrate EP Reference Standard (Y0001188)
RM-T201600-01Tiotropium Bromide
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MBS6032456-01Tiotropium-d3 Bromide
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A10934-50Tiotropium Bromide 50mg
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