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Chemical structure of 1'-Hydroxy bufuralol-d9

GC75023

1'-Hydroxy bufuralol-d9

Also known as 2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-1-[7-(1-hydroxyethyl)-1-benzofuran-2-yl]ethanol

1'-Hydroxy bufuralol-d9 is a deuterium labeled 1'-Hydroxy bufuralol

ChemicalCAS1185069-74-2MW286.41FormulaC16H14D9NO3
CAS number
1185069-74-2
Molecular weight
286.41
Formula
C16H14D9NO3
InChIKey
GTYMTYBCXVOBBB-WVZRYRIDSA-N
Catalogue number
GC75023
Brand
GLPBIO
Computed properties PubChem CID 45039415 · XLogP 2.2 · TPSA 65.6 Ų · H-bond donors 3
XLogP
2.2
TPSA
65.6 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
20

SMILES [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(C1=CC2=C(O1)C(=CC=C2)C(C)O)O

Computed descriptors from PubChem (CID 45039415), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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