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    Chemistry

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    Also known as: 72156-70-8, Methacetin-methoxy-13c, Methacetin-13c, Methacetin c-13, P-acetanisidine c-13, Methacetin, c-13
    Molecular Formula
    C9H11NO2
    Molecular Weight
    166.18  g/mol
    InChI Key
    XVAIDCNLVLTVFM-VQEHIDDOSA-N
    FDA UNII
    6RR3G0X81D
    Methacetin-13C
    1 2D Structure

    Methacetin-13C

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-(4-(113C)methoxyphenyl)acetamide
    2.1.2 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
    2.1.3 InChI Key
    XVAIDCNLVLTVFM-VQEHIDDOSA-N
    2.1.4 Canonical SMILES
    CC(=O)NC1=CC=C(C=C1)OC
    2.1.5 Isomeric SMILES
    CC(=O)NC1=CC=C(C=C1)O[13CH3]
    2.2 Other Identifiers
    2.2.1 UNII
    6RR3G0X81D
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 72156-70-8

    2. Methacetin-methoxy-13c

    3. Methacetin-13c

    4. Methacetin C-13

    5. P-acetanisidine C-13

    6. Methacetin, C-13

    7. N-(4-(113c)methoxyphenyl)acetamide

    8. 6rr3g0x81d

    9. Acetamide, N-(4-(methoxy-13c)phenyl)-

    10. (13)c-methacetin

    11. [(13)c]methacetin

    12. Methacetin (13c)

    13. Methacetin-methoxy-[13c]

    14. Unii-6rr3g0x81d

    15. Methacetin-(methoxy-(13)c)

    16. (13)c-mbt

    17. Chebi:139355

    18. Dtxsid601298070

    19. Mfcd00084017

    20. Methacetin (13c) [who-dd]

    21. Akos015902891

    22. N-[4-(methoxy-13c)phenyl]acetamide

    23. N-{4-[((13)c)methyloxy]phenyl}acetamide

    24. Methacetin-(methoxy-13c), 99 Atom % 13c

    25. Methacetin-(methoxy-13c), 99 Atom % 13c, Mbt Grade

    26. Methacetin-(methoxy-13c), Extra Pure, 99 Atom % 13c, 99% (cp)

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 166.18 g/mol
    Molecular Formula C9H11NO2
    XLogP31.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass166.082333429 g/mol
    Monoisotopic Mass166.082333429 g/mol
    Topological Polar Surface Area38.3 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity151
    Isotope Atom Count1
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    Diagnosis of liver disease

    5 Pharmacology and Biochemistry
    5.1 ATC Code

    V - Various

    V04 - Diagnostic agents

    V04C - Other diagnostic agents

    V04CE - Tests for liver functional capacity

    V04CE03 - Methacetin (13C)

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