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ACTIVE PHARMA INGREDIENTS

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2 API Suppliers
2 USDMF
$ API Reference Price

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Chemistry

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Also known as: 221615-75-4, 1-(6-methylpyridin-3-yl)-2-(4-methylsulfonylphenyl)ethanone, 1-(6-methylpyridin-3-yl)-2-[4-(methylsulfonyl)phenyl]ethanone, 2-(4-methanesulfonyl-phenyl)-1-(6-methyl-pyridin-3-yl)-ethanone, 2-(4-mesylphenyl)-1-(6-methylpyridin-3-yl)- ethan-1-one, Rcyjmcpv68

Molecular Formula

C₁₅H₁₅NO₃S

Molecular Weight

289.4 g/mol

InChI Key

YBFHILNBYXCJKD-UHFFFAOYSA-N

FDA UNII

RCYJMCPV68

1 2D Structure

Ketosulfone

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(6-methylpyridin-3-yl)-2-(4-methylsulfonylphenyl)ethanone

2.1.2 InChI

InChI=1S/C15H15NO3S/c1-11-3-6-13(10-16-11)15(17)9-12-4-7-14(8-5-12)20(2,18)19/h3-8,10H,9H2,1-2H3

2.1.3 InChI Key

YBFHILNBYXCJKD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=NC=C(C=C1)C(=O)CC2=CC=C(C=C2)S(=O)(=O)C

2.2 Other Identifiers

2.2.1 UNII

RCYJMCPV68

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 221615-75-4

2. 1-(6-methylpyridin-3-yl)-2-(4-methylsulfonylphenyl)ethanone

3. 1-(6-methylpyridin-3-yl)-2-[4-(methylsulfonyl)phenyl]ethanone

4. 2-(4-methanesulfonyl-phenyl)-1-(6-methyl-pyridin-3-yl)-ethanone

5. 2-(4-mesylphenyl)-1-(6-methylpyridin-3-yl)- Ethan-1-one

6. Rcyjmcpv68

7. Ethanone, 1-(6-methyl-3-pyridinyl)-2-[4-(methylsulfonyl)phenyl]-

8. Ketosulfone

9. 1-(6-methyl-3-pyridinyl)-2-[4-(methylsulfonyl)phenyl]ethanone

10. (ethanone,1-(6-methyl-3-pyridinyl)-2-[4-(methylsulfonyl)phenyl]- )

11. Ethanone, 1-(6-methyl-3-pyridinyl)-2-(4-(methylsulfonyl)phenyl)-

12. Etoricoxib Impurity D

13. 3-(4-mesylphenylacetyl)-6-methylpyridine

14. Unii-rcyjmcpv68

15. Ec 606-942-4

16. Schembl322719

17. Amy401

18. Dtxsid90432937

19. 1-(6-methylpyridine-3-yl)-2-((4-methylsulfonyl)phenyl)ethanone

20. Bcp10864

21. Cs-b0765

22. Wia61575

23. 1-(6-methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethan-1-one

24. 2-[4-(methanesulfonyl)phenyl]-1-(6-methylpyridin-3-yl)ethan-1-one

25. Mfcd11110696

26. Zinc34031531

27. Akos016011204

28. Ds-6392

29. Ac-25856

30. Ft-0698037

31. 2-(4-mesylphenyl)-1-(6-methylpyridin-3-yl)ethan-1-one

32. 1-(6-methyl-3-pyridinyl)-2-[4-(methylsulfonyl)phenyl]-ethanone

33. 2-(4-mesylphenyl)-1-(6-methylpyridin-3-yl)-ethan-1-one

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₅NO₃S
Molecular Weight	289.4 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	289.07726451 g/mol
Monoisotopic Mass	289.07726451 g/mol
Topological Polar Surface Area	72.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	433
Isotope Atom Count	0
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