Methyl-d9-choline
2-hydroxyethyl-tris(trideuteriomethyl)azanium
Molecular Identity
Methyl-d9-choline
2-hydroxyethyl-tris(trideuteriomethyl)azanium
PubChem CID: 16213540
2D Structure
Properties
C5H14NO+
Molecular Formula
113.23
Molecular Weight
g/mol
113.1640
Exact Mass
Da
-0.4
XLogP
Drug-like (Lipinski: < 5)
20.2
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
1
H-Bond Acceptors
46
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Methyl-d9-choline50673-41-12-(Tri(2H3)methylaminio)ethanolY1HDI47S6KJ2.078.736HUNII-Y1HDI47S6K(2-Hydroxyethyl)tris((2H3)methyl)aminium2-Hydroxy-N,N,N-trimethyl-d9-ethanaminium(2-hydroxyethyl)tri(2H3)methylazaniumRefChem:1581142-hydroxyethyl-tris(trideuteriomethyl)azanium2-hydroxy-N,N,N-tris(methyl-d3)ethan-1-aminiumorb1696125Choline bromide-(trimethyl-d9)CHEMBL4297301
Data from PubChem (NCBI)
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Trials and conditions connected to Methyl-d9-choline
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