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Chemical structure of Mabuterol-D9

GC63054

Mabuterol-D9

Also known as 1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]ethanol

Mabuterol-D9 is a deuterium labeled Mabuterol

ChemicalCAS1246819-58-8MW319.8FormulaC13H9D9ClF3N2O
CAS number
1246819-58-8
Molecular weight
319.8
Formula
C13H9D9ClF3N2O
InChIKey
JSJCTEKTBOKRST-GQALSZNTSA-N
Catalogue number
GC63054
Brand
GLPBIO
Computed properties PubChem CID 71312572 · XLogP 2.5 · TPSA 58.3 Ų · H-bond donors 3
XLogP
2.5
TPSA
58.3 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
20

SMILES [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(C1=CC(=C(C(=C1)Cl)N)C(F)(F)F)O

Computed descriptors from PubChem (CID 71312572), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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