Indacaterol

CAT: 0957-S5654-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0957-S5654-01Size:5 mg

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Description

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.

CAS Number

312753-06-3

Target

Adrenergic Receptor

Activity

Neuronal Signaling

Molecular Formula

C24H28N2O3

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 Number	312753-06-3
PubChem CID	6918554
IUPAC Name	5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
Molecular Formula	C24H28N2O3
Molecular Weight	392.5
XLogP	3.3
Topological Polar Surface Area	81.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	29
Formal Charge	0
Complexity	589

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

CAS: 312753-06-3

CID: 6918554

Formula: C24H28N2O3

MW: 392.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	392.5
XLogP3	3.3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	392.20999276
Monoisotopic Mass	392.20999276
Topological Polar Surface Area	81.6 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	589
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
314224	Indacaterol
WHC35419	Hydroxy indacaterol
HY-14299C	Indacaterol (xinafoate)
452288-01	Indacaterol Impurity A
T1239-01	Indacaterol maleate
A10918-100	Indacaterol 100mg
A10918-25	Indacaterol 25mg

Indacaterol

Chemical Information

Alternative Products

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