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ACTIVE PHARMA INGREDIENTS

3 API Suppliers, 2 USDMF, 1 Listed Suppliers

3 API Suppliers
2 USDMF
1 Listed Suppliers

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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

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 Formula	C₉H₁₁NO₂
Molecular Weight	166.18 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	166.082333429 g/mol
Monoisotopic Mass	166.082333429 g/mol
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	151
Isotope Atom Count	1
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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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Methacetin-13C

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