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(+) -Picumeterol

CAT: 1410-M36216-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M36216-04Size:25 mg
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Description
(+) -Picumeterol is a mixture of all configurations of Picumeterol.
CAS Number
139423-79-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
426.38
Molecular Formula
C21H29Cl2N3O2
Notes
Research use only, not for human use.
Receptor
Others

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

Alternative Products

CatalogName
GTR19277511-01Picumeterol
HY-124950A-01(+) -Picumeterol
MBS5810689(+)-Picumeterol
T68129L1-01Picumeterol FA
T71017-01Picumeterol fumarate

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