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Also known as: 42116-76-7, Me 108, Nsc 293873, Nsc-293873, R 25831, O-methyl n-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamothioate

Molecular Formula

C₈H₁₂N₄O₃S

Molecular Weight

244.27 g/mol

InChI Key

OVEVHVURWWTPFC-UHFFFAOYSA-N

FDA UNII

RH5KI819JG

1 2D Structure

Carnidazole

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

O-methyl N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamothioate

2.1.2 InChI

InChI=1S/C8H12N4O3S/c1-6-10-5-7(12(13)14)11(6)4-3-9-8(16)15-2/h5H,3-4H2,1-2H3,(H,9,16)

2.1.3 InChI Key

OVEVHVURWWTPFC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=NC=C(N1CCNC(=S)OC)[N+](=O)[O-]

2.2 Other Identifiers

2.2.1 UNII

RH5KI819JG

2.3 Synonyms

2.3.1 MeSH Synonyms

1. O-methyl(2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl)carbonothioate

2. R 25831

3. R-2581

2.3.2 Depositor-Supplied Synonyms

1. 42116-76-7

2. Me 108

3. Nsc 293873

4. Nsc-293873

5. R 25831

6. O-methyl N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamothioate

7. R 28,096 [as Hydrochloride]

8. R 25,831 [as The Free Base]

9. O-methyl (2-(2-methyl-5-nitroimidazol-1-yl)ethyl)thiocarbamate

10. Rh5ki819jg

11. O-methyl (2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl)carbamothioate

12. 1-(2-ethylcarbamothioic Acid O-methyl Ester)-2-methyl-5-nitroimidazole

13. (2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl)carbamothioic Acid O-methyl Ester

14. Me-108

15. Nsc293873

16. Carbamothioic Acid, (2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl)-, O-methyl Ester

17. Carnidazole (usan)

18. Carnidazole [usan]

19. R-25831

20. R 25,831

21. Carnidazolum

22. O-methyl [2-(2-methyl-5-nitroimidazol-1-yl)ethyl]thiocarbamate

23. N-[2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl]methoxycarbothioamide

24. Carnidazol [inn-spanish]

25. Carnidazolum [inn-latin]

26. Carbamothioic Acid, [2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl]-, O-methyl Ester

27. Carnidazole [usan:inn:ban]

28. Einecs 255-663-0

29. Unii-rh5ki819jg

30. Brn 0620260

31. Spartrix

32. Carnidazole [mi]

33. Carnidazole [inn]

34. Carnidazole [mart.]

35. Schembl637201

36. Chembl135000

37. Carnidazole [green Book]

38. R-28096 Free Base

39. Dtxsid40194957

40. Chebi:177789

41. R 25831 (as The Free Base)

42. R 28,096 Free Base

43. Me108

44. R 28096 (as The Free Base))

45. Zinc5425133

46. Ncgc00532504-01

47. Hy-119900

48. Cs-0078313

49. D03408

50. Carnidazole, Vetranal(tm), Analytical Standard

51. Q5044050

52. O-methyl 2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethylthiocarbamate #

53. O-methyl[2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl]thiocarbamate

54. Carbamothioic Acid, N-[2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl]-, O-methyl Ester

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₂N₄O₃S
Molecular Weight	244.27 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	244.06301143 g/mol
Monoisotopic Mass	244.06301143 g/mol
Topological Polar Surface Area	117 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	271
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