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Esmolol-[d7] hydrochloride

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General Information
Catalog: BLP-013989
CAS: 1346598-13-7
Molecular Formula: C16H18D7NO4.HCl
Molecular Weight: 338.88

Chemical Structure

Description	Esmolol-[d7] hydrochloride is the labelled salt of Esmolol, which is a cardioselective beta1 adrenergic receptor blocker.
Synonyms	Esmolol-d7 hydrochloride; 4-[2-Hydroxy-3-[(1-methylethyl-d7)amino]propoxy]benxzenepropanoic Acid Methyl Ester Hydrochloride; ASL-8052-d7; Brevibloc-d7
IUPAC Name	methyl 3-[4-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-2-hydroxypropoxy]phenyl]propanoate;hydrochloride
Related CAS	81161-17-3 (unlabelled) 1346746-38-0 (free base) 81147-92-4 (unlabelled free base)
Canonical SMILES	CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)OC)O.Cl
InChI	InChI=1S/C16H25NO4.ClH/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3;/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3;1H/i1D3,2D3,12D;
InChI Key	GEKNCWBANDDJJL-ODLOEXKQSA-N
Purity	98%
Solubility	Soluble in DMSO (Slightly), Methanol (Sparingly)
Appearance	Off-white Solid
Storage	Store at 2-8°C under inert atmosphere