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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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