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Esmolol acid-[d7]

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General Information
Catalog: BLP-005344
CAS: 1346598-79-5
Molecular Formula: C15H16D7NO4
Molecular Weight: 288.39

Chemical Structure

Description	Esmolol acid-[d7] is a deuterium labelled form of Esmolol acid, which is a metabolite of Esmolol in humans.
Synonyms	4-[2-Hydroxy-3-[(1-methylethyl-d7)amino]propoxy]benzenepropanoic Acid; 3-(4-(2-Hydroxy-3-(isopropylamino-d7)propoxy)phenyl)propionic Acid; Esmolol acid D7
IUPAC Name	3-[4-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-2-hydroxypropoxy]phenyl]propanoic acid
Related CAS	81148-15-4 (unlabelled)
Canonical SMILES	CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)O)O
InChI	InChI=1S/C15H23NO4/c1-11(2)16-9-13(17)10-20-14-6-3-12(4-7-14)5-8-15(18)19/h3-4,6-7,11,13,16-17H,5,8-10H2,1-2H3,(H,18,19)/i1D3,2D3,11D
InChI Key	ILSCWPMGTDPATI-UENXPIBQSA-N
Boiling Point	486.1±40.0°C at 760 mmHg
Purity	98% by CP; 99% atom D
Density	1.1±0.1 g/cm3
Storage	Store at -20°C