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Indacaterol

CAT: 1568-C11221-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C11221-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
312753-06-3
SKU
C11221-5mg
Target
Adrenergic Receptor
Applications
Neuronal Signaling
Smiles
CCC1=C (C=C2CC (CC2=C1) NCC (C3=C4C=CC (=O) NC4=C (C=C3) O) O) CC
Molecular Formula
C24H28N2O3
Additionnal Information
Indacaterol is an ultra-long-acting β-adrenoceptor agonist with pKi of 7.36 for β1-adrenoceptor and pKi of 5.48 for β2-adrenoceptor.
Storage Conditions
3 years -20°C powder

Chemical Information

Indacaterol

Indacaterol is a monohydroxyquinoline that consists of 5-[(1R)-2-amino-1-hydroxyethyl]-8-hydroxyquinolin-2-one having a 5,6-diethylindan-2-yl group attached to the amino function. Used as the maleate salt for treatment of chronic obstructive pulmonary disease. It has a role as a beta-adrenergic agonist and a bronchodilator agent. It is a quinolone, a secondary alcohol, a monohydroxyquinoline, a member of indanes and a secondary amino compound. It is a conjugate base of an indacaterol(1+).

CAS Number312753-06-3
PubChem CID6918554
IUPAC Name5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
Molecular FormulaC24H28N2O3
Molecular Weight392.5
XLogP3.3
Topological Polar Surface Area81.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity589
SMILES
CCC1=C(C=C2CC(CC2=C1)NC[C@@H](C3=C4C=CC(=O)NC4=C(C=C3)O)O)CC
InChI
InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1
InChIKey
QZZUEBNBZAPZLX-QFIPXVFZSA-N
Chemical Structure
2D Structure
2D structure of Indacaterol
CAS: 312753-06-3
CID: 6918554
Formula: C24H28N2O3
MW: 392.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.5
XLogP33.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass392.20999276
Monoisotopic Mass392.20999276
Topological Polar Surface Area81.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity589
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
452287-01Indacaterol
WHC35419Hydroxy indacaterol
HY-14299CIndacaterol (xinafoate)
452288-01Indacaterol Impurity A
T1239-01Indacaterol maleate
MBS5814197Indacaterol acetate
A10918-100Indacaterol 100mg
A10918-25Indacaterol 25mg

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