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Cimbuterol-[d9]

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General Information
Catalog: BLP-011706
CAS: 1246819-04-4
Molecular Formula: C13H10D9N3O
Molecular Weight: 242.37

Chemical Structure

Description	Cimbuterol-[d9] is the labelled analogue of Cimbuterol, which is a β-adrenergic agonist.
Synonyms	Cimbuterol-D9; 2-Amino-5-(2-tert-butylamino-D9-1-hydroxyethyl)-benzonitrile; 2-Amino-5-[2-[(1,1-dimethylethyl-d9)amino]-1-hydroxyethyl]benzonitrile; Cimbuterol-(tert-butyl-d9)
IUPAC Name	2-amino-5-[2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-1-hydroxyethyl]benzonitrile
Related CAS	54239-39-3 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(C1=CC(=C(C=C1)N)C#N)O
Canonical SMILES	CC(C)(C)NCC(C1=CC(=C(C=C1)N)C#N)O
InChI	InChI=1S/C13H19N3O/c1-13(2,3)16-8-12(17)9-4-5-11(15)10(6-9)7-14/h4-6,12,16-17H,8,15H2,1-3H3/i1D3,2D3,3D3
InChI Key	YKKQAXQGZIBJFS-GQALSZNTSA-N
Melting Point	>173°C (dec.)
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in Methanol (Slightly, Heated)
Appearance	White to Off-white Solid
Storage	Store at -20°C