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CHEBI:139355 - methacetin-(methoxy-13C)

ChEBI IDCHEBI:139355
ChEBI Namemethacetin-(methoxy-13C)
Stars
ASCII Namemethacetin-(methoxy-(13)C)
DefinitionA 13C-modified compound that is methacetin which has 13C as the predominant isotope of the methoxy carbon. In normal subjects, methacetin is rapidly metabolised in the liver, being dealkylated by hepatic CYP1A2 to give paracetamol (acetaminophen); the methyl of the methoxy group is eliminated as CO2. Administering methacetin-(methoxy-13C) to a patient enables the liver (cytochrome P-450 1A2) function to be determined quickly and precisely by measuring the 13CO2 in the breath (e.g. by isotope-selective non-dispersive infrared spectrometry (NDIRS)).
Last Modified8 January 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC8[13C]H11NO2
Net Charge0
Average Mass166.184
Monoisotopic Mass166.08233
SMILESCC(=O)Nc1ccc(O[13CH3])cc1
InChIInChI=1S/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11)/i2+1
InChIKeyXVAIDCNLVLTVFM-VQEHIDDOSA-N
Roles Classification
Applications:
diagnostic agent  A substance administered to aid diagnosis of a disease.
isotopic tracer  A tracer which only differs in isotopic composition from the substance to be traced.
ChEBI Ontology
Outgoing Relation(s)
methacetin-(methoxy-13C) (CHEBI:139355) has role diagnostic agent (CHEBI:33295)
methacetin-(methoxy-13C) (CHEBI:139355) has role isotopic tracer (CHEBI:35206)
methacetin-(methoxy-13C) (CHEBI:139355) is a 13C-modified compound (CHEBI:139357)
methacetin-(methoxy-13C) (CHEBI:139355) is a acetamides (CHEBI:22160)
methacetin-(methoxy-13C) (CHEBI:139355) is a aromatic ether (CHEBI:35618)
IUPAC Name 
N-{4-[(13C)methyloxy]phenyl}acetamide
Synonyms  Source
p-acetanisidine C-13ChemIDplus
methacetin C-13ChemIDplus
methacetin methoxy-C-13ChemIDplus
13C-methacetinChEBI
(13)C-MBTChEBI
[13C]methacetinChEBI
Registry NumbersSources
Reaxys:31580327Reaxys
CAS:72156-70-8ChemIDplus
Citations