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Cimaterol-[d7]

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General Information
Catalog: BLP-011704
CAS: 1228182-44-2
Molecular Formula: C12H10D7N3O
Molecular Weight: 226.33

Chemical Structure

Description	Cimaterol-[d7] is the labelled analogue of Cimaterol, which is a β-adrenergic agonist, related to Clenbuterol and Mabuterol.
Synonyms	Cimaterol-D7; 2-Amino-5-(1-hydroxy-2-isopropyl-D7-amino-ethyl)-benzonitrile; 2-Amino-5-[1-hydroxy-2-[(1-methylethyl-d7)amino]ethyl]benzonitrile
IUPAC Name	2-amino-5-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-1-hydroxyethyl]benzonitrile
Related CAS	54239-37-1 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(C1=CC(=C(C=C1)N)C#N)O
Canonical SMILES	CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O
InChI	InChI=1S/C12H17N3O/c1-8(2)15-7-12(16)9-3-4-11(14)10(5-9)6-13/h3-5,8,12,15-16H,7,14H2,1-2H3/i1D3,2D3,8D
InChI Key	BUXRLJCGHZZYNE-UNAVHCQLSA-N
Melting Point	164-166°C
Purity	98%; ≥99% atom D
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	Pale Yellow Solid
Storage	Store at -20°C under inert atmosphere