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CHEBI:72321 - 11C-choline chloride

ChEBI IDCHEBI:72321
ChEBI Name11C-choline chloride
Stars
ASCII Name(11)C-choline chloride
DefinitionA 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.
Last Modified30 January 2018
SubmitterSteve
DownloadsMolfile
FormulaC4[11C]H14NO.Cl
Net Charge0
Average Mass138.626
Monoisotopic Mass138.08783
SMILESC[N+](C)([11CH3])CCO.[Cl-]
InChIInChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1/i1-1;
InChIKeySGMZJAMFUVOLNK-ULWFUOSBSA-M
Roles Classification
Applications:
diagnostic agent  A substance administered to aid diagnosis of a disease.
radioactive tracer  A tracer containing a radioactive label.
ChEBI Ontology
Outgoing Relation(s)
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  Source
Choline chloride C11ChemIDplus
Choline chloride C-11ChemIDplus
[N-methyl-11C]choline chlorideChEBI
Registry NumbersSources
Reaxys:21823810Reaxys
CAS:87591-54-6ChemIDplus