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Clenbuterol-d9

CAT: 0804-HY-B1615S-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B1615S-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Clenbuterol-d9 is the deuterium labeled Clenbuterol. Clenbuterol (NAB-365) is a β2-adrenergic receptor agonist with an EC50 of 31.9 nM[1].
CAS Number
129138-58-5
Product Name Alternative
NAB-365-d9
UNSPSC
12352005
Target
Adrenergic Receptor
Type
Isotope-Labeled Compounds
Related Pathways
GPCR/G Protein; Neuronal Signaling
Field of Research
Inflammation/Immunology
Purity
99.86
Solubility
10 mM in DMSO
Smiles
OC(CNC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C1=CC(Cl)=C(N)C(Cl)=C1
Molecular Formula
C12H9D9Cl2N2O
Molecular Weight
286.25
References & Citations
[1]Al-Majed AA, et al. Clenbuterol Hydrochloride. Profiles Drug Subst Excip Relat Methodol. 2017;42:91-123.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Clenbuterol-d9
CAS Number129138-58-5
PubChem CID12757028
IUPAC Name1-(4-amino-3,5-dichlorophenyl)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]ethanol
Molecular FormulaC12H18Cl2N2O
Molecular Weight286.24
XLogP2.2
Topological Polar Surface Area58.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity233
SMILES
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O
InChI
InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3/i1D3,2D3,3D3
InChIKey
STJMRWALKKWQGH-GQALSZNTSA-N
Chemical Structure
2D Structure
2D structure of Clenbuterol-d9
CAS: 129138-58-5
CID: 12757028
Formula: C12H18Cl2N2O
MW: 286.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.24
XLogP32.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass285.1361093
Monoisotopic Mass285.1361093
Topological Polar Surface Area58.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity233
Isotope Atom Count9
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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