CHEBI:72321 - ¹¹C-choline chloride

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ChEBI Name 11C-choline chloride ChEBI ID CHEBI:72321 ChEBI ASCII Name (11)C-choline chloride Definition A quaternary ammonium salt that is the chloride salt of 11C-choline. An intravenous radioactive diagnostic agent used as a tracer during positron emission tomography scans to help detect sites of recurrent prostate cancer. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C4[11C]H14NO.Cl Net Charge 0 Average Mass 138.620 Monoisotopic Mass 138.08783 InChI InChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1/i1-1; InChIKey SGMZJAMFUVOLNK-ULWFUOSBSA-M SMILES [N+](CCO)(C)(C)C.[Cl-] Roles Classification Application(s): diagnostic agent A substance administered to aid diagnosis of a disease. radioactive tracer A tracer containing a radioactive label. radioactive imaging agent View more via ChEBI Ontology ChEBI Ontology Outgoing 11C-choline chloride (CHEBI:72321) has part 11C-choline (CHEBI:72322) 11C-choline chloride (CHEBI:72321) has role diagnostic agent (CHEBI:33295) 11C-choline chloride (CHEBI:72321) has role radioactive imaging agent (CHEBI:37336) 11C-choline chloride (CHEBI:72321) has role radioactive tracer (CHEBI:35207) 11C-choline chloride (CHEBI:72321) is a 11C-modified compound (CHEBI:139544) 11C-choline chloride (CHEBI:72321) is a chloride salt (CHEBI:23114) 11C-choline chloride (CHEBI:72321) is a quaternary ammonium salt (CHEBI:35273) IUPAC Name 2-hydroxy-N,N-dimethyl-N-(11C)methylethanaminium chloride Synonyms Sources [N-methyl-11C]choline chloride ChEBI Choline chloride C-11 ChemIDplus Choline chloride C11 ChemIDplus Registry Numbers Types Sources 21823810 Reaxys Registry Number Reaxys 87591-54-6 CAS Registry Number ChemIDplus Last Modified 30 January 2018