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Brombuterol-[d9] hydrochloride

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General Information
Catalog: BLP-011708
CAS: 1353867-94-3
Molecular Formula: C12H9D9Br2N2O.HCl
Molecular Weight: 411.61

Chemical Structure

Description	Brombuterol-[d9] hydrochloride is the labelled salt of Brombuterol, which is an aniline-type β-adrenergic agonist in cattle.
Synonyms	Brombuterol-D9 hydrochloride; 1-(4-Amino-3,5-dibromophenyl)-2-tert-butyl-D9-aminoethanol hydrochloride; Brombuterol-(tert-butyl-d9) hydrochloride; 4-Amino-3,5-dibromo-α-[[(1,1-dimethylethyl-d9)amino]methyl]benzenemethanol hydrochloride; 1-(4-Amino-3,5-dibromophenyl)-2-(tert-butylamino-d9)ethanol hydrochloride
IUPAC Name	1-(4-amino-3,5-dibromophenyl)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]ethanol;hydrochloride
Related CAS	21912-49-2 (unlabelled) 41937-02-4 (unlabelled free base) 1353940-55-2 (free base)
Canonical SMILES	CC(C)(C)NCC(C1=CC(=C(C(=C1)Br)N)Br)O.Cl
InChI	InChI=1S/C12H18Br2N2O.ClH/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;1H/i1D3,2D3,3D3;
InChI Key	XGPFKIAOVSGRSY-KYRNGWDOSA-N
Melting Point	>176°C (dec.)
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	White to Off-white Solid
Storage	Store at 2-8°C under inert atmosphere