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

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ChEBI Name	methacetin-(methoxy-¹³C)

ChEBI ID	CHEBI:139355

ChEBI ASCII Name	methacetin-(methoxy-(13)C)

Definition	A 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)).

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C8[13C]H11NO2

Net Charge

Average Mass

166.184

Monoisotopic Mass

166.08233

InChI

InChI=1S/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11)/i2+1

InChIKey

XVAIDCNLVLTVFM-VQEHIDDOSA-N

SMILES

C=1C=C(O[13CH3])C=CC1NC(C)=O

Roles Classification
Application(s):	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	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

Last Modified

08 January 2018