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Aclidinium Bromide

CAT: 1568-C17388-02Size: 100 mgDry Ice: YesHazardous: No
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CAT#:1568-C17388-02Size:100 mg
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CAS Number
320345-99-1
Synonyms
LAS 34273, LAS-W 330
SKU
C17388-100mg
Target
AChR
Applications
Neuronal Signaling
Smiles
C1C[N+]2 (CCC1C (C2) OC (=O) C (C3=CC=CS3) (C4=CC=CS4) O) CCCOC5=CC=CC=C5.[Br-]
Molecular Formula
C26H30NO4S2.Br
Additionnal Information
Aclidinium Bromide (LAS 34273, LAS-W 330) inhibits human muscarinic AChR M1, M2, M3, M4 and M5 with Ki of 0.1 nM, 0.14 nM, 0.14 nM, 0.21 nM and 0.16 nM, respectively.
Storage Conditions
2 years -80 in solvent

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
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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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Alternative Products

CatalogName
T2555-01Aclidinium bromide
HY-14144-01Aclidinium (Bromide)

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