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Rac-N-Benzyl Nebivolol-[d4]

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General Information
Catalog: BLP-013563
CAS: 1246814-48-1
Molecular Formula: C29H27D4F2NO4
Molecular Weight: 499.58

Chemical Structure

Description	An isotope labelled of Rac-N-Benzyl Nebivolol which is a protected Nebivolol.
Synonyms	α,α'-[[(Phenylmethyl)imino]bis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol-d4
IUPAC Name	2-[benzyl-[1,1-dideuterio-2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-2,2-dideuterio-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol
Related CAS	929706-85-4 (unlabelled)
Canonical SMILES	C1CC2=C(C=CC(=C2)F)OC1C(CN(CC3=CC=CC=C3)CC(C4CCC5=C(O4)C=CC(=C5)F)O)O
InChI	InChI=1S/C29H31F2NO4/c30-22-8-12-26-20(14-22)6-10-28(35-26)24(33)17-32(16-19-4-2-1-3-5-19)18-25(34)29-11-7-21-15-23(31)9-13-27(21)36-29/h1-5,8-9,12-15,24-25,28-29,33-34H,6-7,10-11,16-18H2/i17D2,18D2
InChI Key	STEPXTPIBUXRLE-DBTGQBASSA-N
Boiling Point	654.3±55.0 °C at 760 mmHg
Density	1.3±0.1 g/cm3
Solubility	Soluble in Chloroform, Dichloromethane, Ethyl Acetate, Methanol
Appearance	Brown Oil