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(+) -Picumeterol

CAT: 0013-GTR19219625-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219625-01Size:1 mg
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Description
Picumeterol is supplied as a racemic mixture containing all its stereoisomers. This β2-adrenergic receptor agonist is utilized in respiratory research, particularly for studying bronchodilation in both in vitro and in vivo experimental models.
CAS Number
139423-79-3
Product Name Alternative
(+) Picumeterol, Picumeterol
Purity
97.12% (May vary between batches)
Solubility
DMSO:50 mg/mL (117.27 mM)
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
CAS Number139423-79-3
PubChem CID3047842
IUPAC Name(1S)-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-/m1/s1
InChIKey
NUBLQEKABJXICM-HXUWFJFHSA-N
Chemical Structure
2D Structure
2D structure of (+)-Picumeterol
CAS: 139423-79-3
CID: 3047842
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

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