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Picumeterol

CAT: 0013-GTR19277511-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19277511-01Size:1 mg
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Description
Picumeterol (GR 114297A) is a potent and selective β2 adrenergic receptor agonist. In vitro and in vivo trials, Picumeterol produced long-lasting airway smooth muscle relaxation. Picumeterol is a pure R enantiomer that can be used to improve lung function and reduce airway hyperreactivity in patients with asthma.
CAS Number
130641-36-0
Smiles
[C@@H] (CNCCCCCCOCCC1=CC=CC=N1) (O) C2=CC (Cl) =C (N) C (Cl) =C2
Molecular Formula
C21H29Cl2N3O2
Molecular Weight
426.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Picumeterol

Picumeterol is a small molecule drug. Picumeterol has a monoisotopic molecular weight of 425.16 Da.

CAS Number130641-36-0
PubChem CID131251
IUPAC Name(1R)-1-(4-amino-3,5-dichlorophenyl)-2-[6-(2-pyridin-2-ylethoxy)hexylamino]ethanol
Molecular FormulaC21H29Cl2N3O2
Molecular Weight426.4
XLogP3.4
Topological Polar Surface Area80.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Heavy Atom Count28
Formal Charge0
Complexity394
SMILES
C1=CC=NC(=C1)CCOCCCCCCNC[C@@H](C2=CC(=C(C(=C2)Cl)N)Cl)O
InChI
InChI=1S/C21H29Cl2N3O2/c22-18-13-16(14-19(23)21(18)24)20(27)15-25-9-4-1-2-6-11-28-12-8-17-7-3-5-10-26-17/h3,5,7,10,13-14,20,25,27H,1-2,4,6,8-9,11-12,15,24H2/t20-/m0/s1
InChIKey
NUBLQEKABJXICM-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of Picumeterol
CAS: 130641-36-0
CID: 131251
Formula: C21H29Cl2N3O2
MW: 426.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.4
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Exact Mass425.1636826
Monoisotopic Mass425.1636826
Topological Polar Surface Area80.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity394
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
HY-124950A-01(+) -Picumeterol
MBS5810689(+)-Picumeterol
HY-124950Picumeterol
T68129L1-01Picumeterol FA
T71017-01Picumeterol fumarate

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