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(S)-4-Hydroxy Penbutolol-[d9] Hydrochloride

General Information
Catalog: BLP-000745
CAS: 1346617-35-3
Molecular Formula: C18H20D9NO3.HCl
Molecular Weight: 352.94
Chemical Structure
(S)-4-Hydroxy Penbutolol-[d9] Hydrochloride
Description (S)-4-Hydroxy Penbutolol-[d9] Hydrochloride is the labelled analogue of (S)-4-Hydroxy Penbutolol Hydrochloride, which is a hydroxylated metabolite of Penbutolol.
Synonyms (S)-4-Hydroxy Penbutolol-d9 Hydrochloride; 3-Cyclopentyl-4-[(2S)-3-[(1,1-dimethylethyl-d9)amino]-2-hydroxypropoxy]phenol Hydrochloride; (S)-3-Cyclopentyl-4-[3-[(1,1-dimethylethyl-d9)amino]-2-hydroxypropoxy]phenol Hydrochloride
IUPAC Name 3-cyclopentyl-4-[(2S)-3-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-2-hydroxypropoxy]phenol;hydrochloride
Related CAS 81542-82-7 (unlabelled free base) 1346617-04-6 (unlabelled)
Canonical SMILES CC(C)(C)NCC(COC1=C(C=C(C=C1)O)C2CCCC2)O.Cl
InChI InChI=1S/C18H29NO3.ClH/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;1H/t15-;/m0./s1/i1D3,2D3,3D3;
InChI Key IRXCLCQOLQYHQP-IMOSCWSWSA-N
Purity > 98%

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