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Umeclidinium bromide 2mg

CAT: 0628-A15268-2Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0628-A15268-2Size:2 mg
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CAS Number
869113-09-7

Chemical Information

Umeclidinium bromide

Umeclidinium bromide is a quaternary ammonium salt that is the bromide salt of umeclidinium. Used in combination with vilanterol for long-term maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease. It has a role as a muscarinic antagonist. It is a quaternary ammonium salt and an organic bromide salt. It contains an umeclidinium.

CAS Number869113-09-7
PubChem CID11519069
IUPAC Namediphenyl-[1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol bromide
Molecular FormulaC29H34BrNO2
Molecular Weight508.5
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity543
SMILES
C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCOCC5=CC=CC=C5.[Br-]
InChI
InChI=1S/C29H34NO2.BrH/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25;/h1-15,31H,16-24H2;1H/q+1;/p-1
InChIKey
PEJHHXHHNGORMP-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Umeclidinium bromide
CAS: 869113-09-7
CID: 11519069
Formula: C29H34BrNO2
MW: 508.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight508.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass507.17729
Monoisotopic Mass507.17729
Topological Polar Surface Area29.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity543
Isotope Atom Count0
Defined Atom Stereocenter Count0
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
A3900-2Umeclidinium bromide
HY-12100-01Umeclidinium (bromide)

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