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Penbutolol-[d9] Hydrochloride

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Penbutolol-[d9] Hydrochloride

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General Information
Catalog: BLP-012510
CAS: 1346605-01-3
Molecular Formula: C18H21D9ClNO3
Molecular Weight: 336.94

Chemical Structure

Description	Penbutolol-[d9] Hydrochloride is the labelled analogue of Penbutolol, which is a sympathomimetic drug used to treat mild to moderate high blood pressure.
Synonyms	Penbutolol D9 Hydrochloride
IUPAC Name	1-(2-cyclopentylphenoxy)-3-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]propan-2-ol;hydrochloride
Related CAS	28163-36-2 (unlabelled)
Canonical SMILES	CC(C)(C)NCC(COC1=CC=CC=C1C2CCCC2)O.Cl
InChI	InChI=1S/C18H29NO2.ClH/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14;/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3;1H/i1D3,2D3,3D3;
InChI Key	ITZWQFLTSRCDPC-KYRNGWDOSA-N
Purity	95% by HPLC; 98% atom D