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rac Penbutolol-[d9]

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General Information
Catalog: BLP-012554
CAS: 1346747-40-7
Molecular Formula: C18H20D9NO2
Molecular Weight: 300.48

Chemical Structure

Description	rac Penbutolol-[d9] is the labelled analogue of Penbutolol, which is a sympathomimetic drug used to treat mild to moderate high blood pressure.
Synonyms	rac Penbutolol D9; 1-(2-Cyclopentylphenoxy)-3-[(1,1-dimethylethyl-d9)amino]-2-propanol; 1-(tert-Butylamino-d9)-3-(o-cyclopentylphenoxy)-2-propanol
IUPAC Name	1-(2-cyclopentylphenoxy)-3-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]propan-2-ol
Related CAS	36507-48-9 (unlabelled)
Canonical SMILES	CC(C)(C)NCC(COC1=CC=CC=C1C2CCCC2)O
InChI	InChI=1S/C18H29NO2/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/i1D3,2D3,3D3
InChI Key	KQXKVJAGOJTNJS-GQALSZNTSA-N
Boiling Point	438.2±40.0 °C at 760 mmHg
Purity	95% by HPLC; 95% atom D
Density	1.0±0.1 g/cm3