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1'-Hydroxy Bufuralol-d9 (Mixture of Diastereomers)

Chemical Name 1'-Hydroxy Bufuralol-d9 (Mixture of Diastereomers)
CAT No. CS-T-93524
CAS Registry# 1185069-74-2
Status Under Certification (Usually dispatched in 5 days)
Category Stable Isotopes
Mol. Wt. 286.41 g/mol
Mol. For. C₁₆H₁₄D₉NO₃
Hazardous This is not a Hazardous Compound
COA View Sample COA

Additional Information

Controlled No
Smileys OC(C1=CC2=CC=CC(C(O)C)=C2O1)CNC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
Canonical Smiles CC(C1=CC=CC2=C1OC(=C2)C(CNC(C)(C)C)O)O
Inchl InChI=1S/C16H23NO3/c1-10(18)12-7-5-6-11-8-14(20-15(11)12)13(19)9-17-16(2,3)4/h5-8,10,13,17-19H,9H2,1-4H3/i2D3,3D3,4D3
IUPAC 2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-1-[7-(1-hydroxyethyl)-1-benzofuran-2-yl]ethanol
Hazardous No

Usage and description

1'-Hydroxy Bufuralol-d9 is a mixture of diastereomers used in research and development of beta-blockers. It is a deuterated form of the drug Bufuralol, which is a non-selective beta-adrenergic blocker. The addition of the hydroxy group to the 1' position of the molecule increases its water solubility, making it easier to administer and study in biological systems. The deuterated form of this compound, 1'-Hydroxy Bufuralol-d9, is useful in pharmacokinetic and metabolic studies, as it allows for the tracking of the compound within biological systems through the use of mass spectrometry. This can provide valuable insights into the metabolism, distribution, and elimination of beta-blockers in the body. Chemically, 1'-Hydroxy Bufuralol-d9 has a molecular weight of 334.46 g/mol and a molecular formula of C16H19D9NO3. It is a white to off-white solid with a purity of at least 98% and a melting point of approximately 152-154 °C. In conclusion, 1'-Hydroxy Bufuralol-d9 is a useful tool in the research and development of beta-blockers, providing valuable insights into their pharmacokinetics and metabolism. Its deuterated form allows for precise tracking of the compound in biological systems, making it a valuable addition to the scientific community's arsenal of research tools.

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