QANJLSHZDUOBBP-QPUJVOFHSA-N

Chemistry, 2 End Use API, 4 Related Intermediates

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Also known as: 127000-90-2, 124627-86-7, (2r,3s)-2-(2,4-difluorophenyl)-3-methyl-2-[(1h-1,2,4-triazole-1-yl)methyl]oxirane, 132563-77-0, D1jo8189w7, 1-[(2r,3s)-2-(2,4-difluoro-phenyl)-3-methyl-oxiranylmethyl]-1h-[1,2,4]triazole

Molecular Formula

C₁₂H₁₁F₂N₃O

Molecular Weight

251.23 g/mol

InChI Key

QANJLSHZDUOBBP-QPUJVOFHSA-N

FDA UNII

D1JO8189W7

1 2D Structure

QANJLSHZDUOBBP-QPUJVOFHSA-N

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[[(2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl]methyl]-1,2,4-triazole

2.1.2 InChI

InChI=1S/C12H11F2N3O/c1-8-12(18-8,5-17-7-15-6-16-17)10-3-2-9(13)4-11(10)14/h2-4,6-8H,5H2,1H3/t8-,12+/m0/s1

2.1.3 InChI Key

QANJLSHZDUOBBP-QPUJVOFHSA-N

2.1.4 Canonical SMILES

CC1C(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)F)F

2.1.5 Isomeric SMILES

C[C@H]1[C@](O1)(CN2C=NC=N2)C3=C(C=C(C=C3)F)F

2.2 Other Identifiers

2.2.1 UNII

D1JO8189W7

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 127000-90-2

2. 124627-86-7

3. (2r,3s)-2-(2,4-difluorophenyl)-3-methyl-2-[(1h-1,2,4-triazole-1-yl)methyl]oxirane

4. 132563-77-0

5. D1jo8189w7

6. 1-[(2r,3s)-2-(2,4-difluoro-phenyl)-3-methyl-oxiranylmethyl]-1h-[1,2,4]triazole

7. 1-[[(2r,3s)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl]methyl]-1,2,4-triazole

8. 1-{[(2r,3s)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl]methyl}-1h-1,2,4-triazole

9. 1h-1,2,4-triazole, 1-[[(2r,3s)-2-(2,4-difluorophenyl)-3-methyloxiranyl]methyl]-

10. 1. 1-(((2r, 3s)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl) Methyl)-1h-1,2,4-triazole

11. 1-((2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)methyl)-1h-1,2,4-triazole, (2r-cis)-

12. 1h-1,2,4-triazole, 1-(((2r,3s)-2-(2,4-difluorophenyl)-3-methyloxiranyl)methyl)-

13. 1h-1,2,4-triazole, 1-((2-(2,4-difluorophenyl)-3-methyloxiranyl)methyl)-, (2r-cis)-

14. Rel-1-(((2r,3s)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)methyl)-1h-1,2,4-triazole

15. Mfcd09833867

16. 1-(((2r,3s)-2-(2,4-difluorophenyl)-3-methyloxiranyl)methyl)-1h-1,2,4-triazole

17. 1-[[(2r,3s)-2-(2,4-difluorophenyl)-3-methyloxiranyl]methyl]-1h-1,2,4-triazole

18. Schembl300482

19. Unii-d1jo8189w7

20. Phosphoric Acidtri-o-tolyl Ester

21. 1-(((2r,3s)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl) Methyl)-1h-1,2,4-triazole

22. Zinc22012442

23. Akos016023711

24. As-30125

25. Db-111179

26. Cs-0012900

27. D72495

28. A854826

29. A1-00273

30. (2 R,3 S)-2-(2,4-difluorophenyl)-3-methyl-2-[(1 H-1,2,4-triazol-1-yl)methyl]oxirane

31. (2r, 3s)-2-(2,4-difluorophenyl)-3-methyl-2-[(1h-1,2,4-triazol-1-yl)methyl]oxirane

32. (2r,3s)-2-(2,4-difluorophenyl)-3-methyl-2-(1h-1,2,4-triazol-1-yl)methyloxirane

33. (2r,3s)-2-(2,4-difluorophenyl)-3-methyl-2-(1h-1,2,4-triazol-1-ylmethyl)oxirane

34. (2r,3s)-2-(2,4-difluorophenyl)-3-methyl-2-[(1 H-1,2,4-triazol-1-yl)methyl]oxirane

35. (2r,3s)-2-(2,4-difluorophenyl)-3-methyl-2-[(1h-1,2,4-triazol-1-yl)methyl]oxirane

36. (2r,3s)-2-(2,4-difluorophenyl)-3-methyl-2-[(1h-1,2,4-triazol1-yl)methyl]oxirane

37. (2r,3s)-2-(2,4difluorophenyl)-3-methyl-2-(1h-1,2,4-triazol-1-ylmethyl)oxirane

38. 1-(((2r,3s)-2-(2,4-difluorophenyl)-3-methyl Oxiran-2-yl)methyl)-1h-1,2,4-triazol

39. 1-(((2r,3s)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)methyl)-1h-1,2,4-triazol

40. 1-[(2r,3s)-2-(2,4-difluorophenyl)-2,3-epoxybutan-1-yl]-1h-1,2,4-triazole

41. 1-{[(2r,3s)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl]methyl-1h-1,2,4-triazole

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₁F₂N₃O
Molecular Weight	251.23 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	251.08701831 g/mol
Monoisotopic Mass	251.08701831 g/mol
Topological Polar Surface Area	43.2 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	320
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

127000-90-2

Intermediate Name

1-(((2R,3S)-2-(2,4-difluorophenyl)-...

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Established in 2003 by G. Chandra Mouliswar Reddy, Virupaksha strives to supply the highest quality produ...

Established in 2003 by G. Chandra Mouliswar Reddy, Virupaksha strives to supply the highest quality products to its customers. In less than two decades, the Hyderabad-headquartered company has expanded from a single manufacturing unit to four units employing over 900 employees. Virupaksha’s four manufacturing units are located at Kazipally, Pashamylaram, Humnabad and Gandhi Nagar. Its manufacturing facility is FDA-approved. It now has a large customer base of over 300 customers and a presence in more than 100 countries.

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CAS Number

127000-90-2

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1-(((2R,3S)-2-(2,4-difluorophenyl)-...

About the Company

Viwit Pharmaceuticals Limited (Viwit), founded in 2006, is a fast-growing research-based pharmaceutical h...

Viwit Pharmaceuticals Limited (Viwit), founded in 2006, is a fast-growing research-based pharmaceutical healthcare company dedicated to the development, manufacture and marketing of innovative products in the fields of Finished Dosage Formulations, Active Pharmaceutical Ingredients and Fine Chemicals. Viwit manufactures all the products based on company’s core technologies, and is dedicated to serve customers for their greater success and healthier living.

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