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Bisoprolol-[d7] hemifumarate

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General Information
Catalog: BLP-013579
CAS: 1310012-16-8
Molecular Formula: C20H26D7NO6
Molecular Weight: 390.52

Chemical Structure

Description	Bisoprolol-[d7] hemifumarate is the deuterium labelled form of Bisoprolol Hemifumarate. Bisoprolol Hemifumarate is an antihypertensive used as a selective β-adrenergic blocker.
Synonyms	1-[4-[[2-(1-Methylethoxy)ethoxy]methyl]phenoxy]-3-[(1-methylethyl)amino]-2-propanol-d7 (2E)-2-butenedioate (2:1) (salt)
IUPAC Name	1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol
Related CAS	104344-23-2 (unlabelled)
Canonical SMILES	CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O
InChI	InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3/i1D3,2D3,14D
InChI Key	VHYCDWMUTMEGQY-HSNISVEUSA-N
Melting Point	100-102°C
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Appearance	White to Off-white Solid