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Chemical structure of Cimbuterol-D9

GC62897

Cimbuterol-D9

Also known as 2-amino-5-[2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-1-hydroxyethyl]benzonitrile

Cimbuterol-D9 is the deuterium labeled Cimbuterol

ChemicalCAS1246819-04-4MW242.36FormulaC13H10D9N3O
CAS number
1246819-04-4
Molecular weight
242.36
Formula
C13H10D9N3O
InChIKey
YKKQAXQGZIBJFS-GQALSZNTSA-N
Catalogue number
GC62897
Brand
GLPBIO
Computed properties PubChem CID 71312591 · XLogP 1.2 · TPSA 82.1 Ų · H-bond donors 3
XLogP
1.2
TPSA
82.1 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
17

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

Computed descriptors from PubChem (CID 71312591), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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