Molecule ID: 449688

IUPAC Name: 2-hydroxyethyl-dimethyl-(111C)methylazanium

Description: The molecule is a choline in which one of the methyl carbons is replaced by an (11)C isotope. An intravenous radioactive diagnostic agent used (in the form of its chloride salt) as a tracer during positron emission tomography scans to help detect sites of recurrent prostate cancer. It has a role as a radioactive imaging agent and a radioactive tracer. It is a member of cholines and an (11)C-modified compound.

SMILES: C[N+](C)([11CH3])CCO

SELFIES: [C][N+1][Branch1][C][C][Branch1][C][11CH3][C][C][O]

InChI: InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1/i1-1

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: -0.4