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Aclidinium bromide

CAT: 0013-GTR19173741-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19173741-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Aclidinium bromide is a synthetic anticholinergic agent used in research to study bronchodilation for conditions like COPD. It is applied in both in vitro receptor binding assays and in vivo models of bronchospasm to investigate muscarinic antagonism and airway physiology.
CAS Number
320345-99-1
Product Name Alternative
Inhibitor, LAS34273, LAS-34273, LAS 34273, LAS-W 330, LAS-W330, LAS-W-330, M2 mAChR, M3 mAChR, M1 mAChR, mAChR, M4 mAChR, M5 mAChR, Muscarinic acetylcholine receptor, inhibit, Aclidinium, Aclidinium Bromide, Aclidinium bromide
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
98.93% (May vary between batches)
Solubility
DMSO:104 mg/mL (184.22 mM) ; Ethanol:< 1 mg/mL (insoluble or slightly soluble) ; H2O:< 1 mg/mL (insoluble or slightly soluble) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:4 mg/mL (7.09 mM)
Smiles
[Br-].OC (C (=O) O[C@H]1C[N+]2 (CCCOc3ccccc3) CCC1CC2) (c1cccs1) c1cccs1
Molecular Formula
C26H30NO4S2·Br
Molecular Weight
564.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Aclidinium Bromide

Aclidinium bromide is a quaternary ammonium salt that is the bromide salt of aclidinium. A muscarinic acetylcholine M3 receptor antagonist, for the long-term maintenance treatment of bronchospasm associated with chronic obstructive pulmonary disease (COPD). It has a role as a bronchodilator agent and a muscarinic antagonist. It is a quaternary ammonium salt and an organic bromide salt. It contains an aclidinium.

CAS Number320345-99-1
PubChem CID11519741
IUPAC Name[(3R)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate bromide
Molecular FormulaC26H30BrNO4S2
Molecular Weight564.6
Topological Polar Surface Area112
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count34
Formal Charge0
Complexity647
SMILES
C1C[N+]2(CCC1[C@H](C2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCOC5=CC=CC=C5.[Br-]
InChI
InChI=1S/C26H30NO4S2.BrH/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21;/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2;1H/q+1;/p-1/t20?,22-,27?;/m0./s1
InChIKey
XLAKJQPTOJHYDR-QTQXQZBYSA-M
Chemical Structure
2D Structure
2D structure of Aclidinium Bromide
CAS: 320345-99-1
CID: 11519741
Formula: C26H30BrNO4S2
MW: 564.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight564.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass563.07996
Monoisotopic Mass563.07996
Topological Polar Surface Area112 Ų
Heavy Atom Count34
Formal Charge0
Complexity647
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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