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Chemical structure of (±)-Penbutolol-d9 hydrochloride

GC62727

(±)-Penbutolol-d9 hydrochloride

Also known as 1-(2-cyclopentylphenoxy)-3-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]propan-2-ol;hydrochloride

(±)-Penbutolol-d9 ((Rac)-Penbutolol-d9) hydrochloride is a deuterium labeled (±)-Penbutolol hydrochloride

ChemicalCAS1346605-01-3MW336.94FormulaC18H21D9ClNO2
CAS number
1346605-01-3
Molecular weight
336.94
Formula
C18H21D9ClNO2
InChIKey
ITZWQFLTSRCDPC-KYRNGWDOSA-N
Catalogue number
GC62727
Brand
GLPBIO
Computed properties PubChem CID 71751481 · TPSA 41.5 Ų · H-bond donors 3 · H-bond acceptors 3
TPSA
41.5 Ų
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
22

SMILES [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(COC1=CC=CC=C1C2CCCC2)O.Cl

Computed descriptors from PubChem (CID 71751481), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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