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Indacaterol Maleate

CAT: 0607-B1369-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-B1369-5Size:5 mg
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Description
Ultra-long-acting β-adrenoceptor agonist
CAS Number
753498-25-8
Product Name Alternative
(Z)-but-2-enedioic acid;5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
Field of Research
GPCR G protein Adrenergic Receptor
Purity
0.9962
Form
A solid
Solubility
insoluble in H2O; ≥10.02 mg/mL in ETOH with gentle warming; ≥51.6 mg/mL in DMSO
Smiles
CCC1=C(C=C2CC(CC2=C1)NCC(C3=C4C=CC(=O)NC4=C(C=C3)O)O)CC.C(=CC(=O)O)C(=O)O
Molecular Formula
C24H28N2O3·C4H4O4
Molecular Weight
508.56
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Indacaterol maleate

Indacaterol maleate is a maleate salt obtained by reaction of indacaterol with one equivalent of maleic acid. Used for treatment of chronic obstructive pulmonary disease. It has a role as a beta-adrenergic agonist and a bronchodilator agent. It contains an indacaterol(1+).

CAS Number753498-25-8
PubChem CID9827599
IUPAC Name(Z)-but-2-enedioic acid;5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
Molecular FormulaC28H32N2O7
Molecular Weight508.6
Topological Polar Surface Area156
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count37
Formal Charge0
Complexity708
SMILES
CCC1=C(C=C2CC(CC2=C1)NC[C@@H](C3=C4C=CC(=O)NC4=C(C=C3)O)O)CC.C(=C\C(=O)O)\C(=O)O
InChI
InChI=1S/C24H28N2O3.C4H4O4/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;5-3(6)1-2-4(7)8/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29);1-2H,(H,5,6)(H,7,8)/b;2-1-/t22-;/m0./s1
InChIKey
IREJFXIHXRZFER-PCBAQXHCSA-N
Chemical Structure
2D Structure
2D structure of Indacaterol maleate
CAS: 753498-25-8
CID: 9827599
Formula: C28H32N2O7
MW: 508.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight508.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass508.22095136
Monoisotopic Mass508.22095136
Topological Polar Surface Area156 Ų
Heavy Atom Count37
Formal Charge0
Complexity708
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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