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Vilanterol

CAT: 0931-T2645-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T2645-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
503068-34-6
Target
Adrenergic Receptor
Related Pathways
Neuroscience, GPCR/G Protein
Purity
0.9946
Bioactivity
Vilanterol is a selective long-acting beta2-adrenergic agonist (LABA) used in the treatment of COPD and asthma.
Smiles
OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCOCc1c(Cl)cccc1Cl
Molecular Formula
C24H33Cl2NO5
Molecular Weight
486.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Vilanterol

Vilanterol is an dichlorobenzene derivative that is used in the form of its trifenate salt for treatment of chronic obstructive pulmonary disease. It has a role as a beta-adrenergic agonist and a bronchodilator agent. It is a member of benzyl alcohols, a dichlorobenzene, an ether, a member of phenols and a secondary amino compound. It is a conjugate base of a vilanterol(1+).

CAS Number503068-34-6
PubChem CID10184665
IUPAC Name4-[(1R)-2-[6-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]hexylamino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol
Molecular FormulaC24H33Cl2NO5
Molecular Weight486.4
XLogP3.8
Topological Polar Surface Area91.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count16
Heavy Atom Count32
Formal Charge0
Complexity466
SMILES
C1=CC(=C(C(=C1)Cl)COCCOCCCCCCNC[C@@H](C2=CC(=C(C=C2)O)CO)O)Cl
InChI
InChI=1S/C24H33Cl2NO5/c25-21-6-5-7-22(26)20(21)17-32-13-12-31-11-4-2-1-3-10-27-15-24(30)18-8-9-23(29)19(14-18)16-28/h5-9,14,24,27-30H,1-4,10-13,15-17H2/t24-/m0/s1
InChIKey
DAFYYTQWSAWIGS-DEOSSOPVSA-N
Chemical Structure
2D Structure
2D structure of Vilanterol
CAS: 503068-34-6
CID: 10184665
Formula: C24H33Cl2NO5
MW: 486.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight486.4
XLogP33.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count16
Exact Mass485.1735785
Monoisotopic Mass485.1735785
Topological Polar Surface Area91.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity466
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19198403-01Vilanterol
RM-V091224-01Vilanterol Impurity 24 ((S) -Vilanterol)
CS-O-44244Vilanterol Racemate
TRC-V260000-10MGVilanterol Trifenatate
TRC-V260005-2.5MGVilanterol Acetate
TRC-D432360-100MGVilanterol Dimer

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