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rel-ICI 118551-[d7] hydrochloride

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General Information
Catalog: BLP-013831
CAS: 1330181-02-6
Molecular Formula: C17H21D7ClNO2
Molecular Weight: 320.91

Chemical Structure

Description	rel-ICI 118551-[d7] hydrochloride is the labelled (R,R)-enantiomer of ICI 118551, which is a highly selective β2-adrenoceptor antagonist.
Synonyms	rel-ICI 118551-d7 hydrochloride; (2R,3R)-rel-1-[(2,3-Dihydro-7-methyl-1H-inden-4-yl)oxy]-3-[(1-methylethyl-d7)amino]-2-butanol Hydrochloride; (R,R)-1-[(2,3-Dihydro-7-methyl-1H-inden-4-yl)oxy]-3-[(1-methylethyl-d7)amino]-2-butanol Hydrochloride; ICI 118551-d7 Hydrochloride
IUPAC Name	(2R,3R)-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]butan-2-ol;hydrochloride
Related CAS	72795-01-8 (unlabelled) 1330823-01-2 (free base)
Canonical SMILES	CC1=C2CCCC2=C(C=C1)OCC(C(C)NC(C)C)O.Cl
InChI	InChI=1S/C17H27NO2.ClH/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17;/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3;1H/t13-,16+;/m1./s1/i1D3,2D3,11D;
InChI Key	KBXMBGWSOLBOQM-XNMQMKPDSA-N
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	Off-white Solid
Storage	Store at -20°C under inert atmosphere