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ACTIVE PHARMA INGREDIENTS

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Synopsis

ACTIVE PHARMA INGREDIENTS

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USDMF

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EU WC

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Chemistry

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Also known as: 4936-47-4, Methylmercadone, Omnes, Macmiror, Magmilor, Polmiror

Molecular Formula

C₁₀H₁₁N₃O₅S

Molecular Weight

285.28 g/mol

InChI Key

SRQKTCXJCCHINN-NYYWCZLTSA-N

FDA UNII

U60U6P08SP

Local antiprotozoal and antifungal agent that may also be given orally.

1 2D Structure

Nifuratel

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-(methylsulfanylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one

2.1.2 InChI

InChI=1S/C10H11N3O5S/c1-19-6-8-5-12(10(14)18-8)11-4-7-2-3-9(17-7)13(15)16/h2-4,8H,5-6H2,1H3/b11-4+

2.1.3 InChI Key

SRQKTCXJCCHINN-NYYWCZLTSA-N

2.1.4 Canonical SMILES

CSCC1CN(C(=O)O1)N=CC2=CC=C(O2)[N+](=O)[O-]

2.1.5 Isomeric SMILES

CSCC1CN(C(=O)O1)/N=C/C2=CC=C(O2)[N+](=O)[O-]

2.2 Other Identifiers

2.2.1 UNII

U60U6P08SP

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Inimur

2. Macmiror

3. Methylmercadone

4. Metilmercadon

5. Thiodinon

2.3.2 Depositor-Supplied Synonyms

1. 4936-47-4

2. Methylmercadone

3. Omnes

4. Macmiror

5. Magmilor

6. Polmiror

7. Tydantil

8. Inimur

9. U60u6p08sp

10. Sap-113

11. Nifuratel (usan)

12. 2-oxazolidinone,5-[(methylthio)methyl]-3-[[(5-nitro-2-furanyl)methylene]amino]-

13. Nf-113

14. Sap 113

15. Nifuratel [usan]

16. Nf 113

17. 5-((methylthio)methyl)-3-((5-nitrofurfurylidene)amino)-2-oxazolidinone

18. 5-[(methylthio)methyl]-3-[[(5-nitro-2-furanyl)methylene]amino]-2-oxazolidinone

19. 5-(methylsulfanylmethyl)-3-[(e)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one

20. Nifuratelum

21. 2-oxazolidinone, 5-((methylthio)methyl)-3-(((5-nitro-2-furanyl)methylene)amino)-

22. Nifuratelum [inn-latin]

23. Unii-u60u6p08sp

24. Nifuratel [usan:inn:ban]

25. 5-((methylthio)methyl)-3-(((5-nitro-2-furanyl)methylene)amino)-2-oxazolidinone

26. Macmiror; Magmilor

27. Macmiror (tn)

28. Einecs 225-576-2

29. Brn 0842878

30. Nifuratel [inn]

31. Nifuratel [mi]

32. Nifuratel [mart.]

33. Nifuratel [who-dd]

34. Schembl153098

35. Schembl365913

36. Chembl514315

37. Chebi:135180

38. Hy-a0059

39. Mfcd00057257

40. S3966

41. 5-(methylmercaptomethyl)-3-(5-nitro-2-furfurylidenamino)-2-oxazolidinone

42. Akos015904955

43. L'n-(5-nitro-2-furfurilidene)-3-amino-5-metilmercaptometil-2-ossazolidinone

44. Ccg-267320

45. Cs-1635

46. Db13724

47. L'n-(5-nitro-2-furfurilidene)-3-amino-5-metilmercaptometil-2-ossazolidinone [italian]

48. Nifuratel 100 Microg/ml In Acetonitrile

49. As-13311

50. Ls-13772

51. D01050

52. 936n474

53. J-523607

54. 2-oxazolidinone, 5-((methylthio)methyl)-3-((5-nitrofurfurylidene)amino)-

55. 3-((5-nitro-2-furfurylidene)amino)-5-((methylthio)methyl)-2-oxazolidinone

56. 5-(methylthiomethyl)-3-(5-nitro-2-furfurylidenamino)oxazolidin-2-one

2.4 Create Date

2006-04-28

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₁N₃O₅S
Molecular Weight	285.28 g/mol
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	285.04194163 g/mol
Monoisotopic Mass	285.04194163 g/mol
Topological Polar Surface Area	126 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	386
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Antitrichomonal Agents

Agents used to treat trichomonas infections. (See all compounds classified as Antitrichomonal Agents.)

Antifungal Agents

Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues. (See all compounds classified as Antifungal Agents.)

4.2 ATC Code

G - Genito urinary system and sex hormones

G01 - Gynecological antiinfectives and antiseptics

G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids

G01AX - Other antiinfectives and antiseptics

G01AX05 - Nifuratel

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