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4-Hydroxy Penbutolol-[d9]

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General Information
Catalog: BLP-012983
CAS: 1346747-63-4
Molecular Formula: C18H20D9NO3
Molecular Weight: 316.49

Chemical Structure

Description	4-Hydroxy Penbutolol-[d9] is the labelled analogue of 4-Hydroxy Penbutolol, which is a metabolite of Penbutolol.
Synonyms	4-Hydroxy Penbutolol D9; 3-Cyclopentyl-4-[(2S)-3-[(1,1-dimethylethyl-d9)amino]-2-hydroxypropoxy]phenol; (S)-3-Cyclopentyl-4-[3-[(1,1-dimethylethyl-d9)amino]-2-hydroxypropoxy]phenol; (S)-4-Hydroxy Penbutolol-d9
IUPAC Name	3-cyclopentyl-4-[(2S)-3-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-2-hydroxypropoxy]phenol
Related CAS	81542-82-7 (unlabelled) 1346617-35-3 (hydrochloride) 1346617-04-6 (unlabelled hydrochloride)
Canonical SMILES	CC(C)(C)NCC(COC1=C(C=C(C=C1)O)C2CCCC2)O
InChI	InChI=1S/C18H29NO3/c1-18(2,3)19-11-15(21)12-22-17-9-8-14(20)10-16(17)13-6-4-5-7-13/h8-10,13,15,19-21H,4-7,11-12H2,1-3H3/t15-/m0/s1/i1D3,2D3,3D3
InChI Key	PYXBIIXXYVBVLU-PUEPMHDYSA-N
Purity	>95%
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	White Solid
Storage	Store at 2-8°C under inert atmosphere