CAS 127780-16-9

Chemistry, 1 End Use API, 28 Related Intermediates

Manufacturers/Suppliers

1 Suppliers

1 Suppliers

Also known as: 127780-16-9, 6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfonyl]-1h-benzimidazole, Olw375vge9, 5-difluoromethoxy-2-((3,4 dimethoxy-2-pyridyl)methylsulfonyl)-1h-benzimidazole, Pantoprazole related compound a, Pantoprazole sulphone

Molecular Formula

C₁₆H₁₅F₂N₃O₅S

Molecular Weight

399.4 g/mol

InChI Key

FCJYMBZQIJDMMM-UHFFFAOYSA-N

FDA UNII

OLW375VGE9

1 2D Structure

CAS 127780-16-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfonyl]-1H-benzimidazole

2.1.2 InChI

InChI=1S/C16H15F2N3O5S/c1-24-13-5-6-19-12(14(13)25-2)8-27(22,23)16-20-10-4-3-9(26-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)

2.1.3 InChI Key

FCJYMBZQIJDMMM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=C(C(=NC=C1)CS(=O)(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OC

2.2 Other Identifiers

2.2.1 UNII

OLW375VGE9

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 5-difluoromethoxy-2-((3,4 Dimethoxy-2-pyridyl)methylsulfonyl)-1h-benzimidazole

2. Dmmpm

2.3.2 Depositor-Supplied Synonyms

1. 127780-16-9

2. 6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfonyl]-1h-benzimidazole

3. Olw375vge9

4. 5-difluoromethoxy-2-((3,4 Dimethoxy-2-pyridyl)methylsulfonyl)-1h-benzimidazole

5. Pantoprazole Related Compound A

6. Pantoprazole Sulphone

7. Dmmpm

8. 1h-benzimidazole, 6-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfonyl]-

9. 6-(difluoromethoxy)-2-(((3,4-dimethoxypyridin-2-yl)methyl)sulfonyl)-1h-benzo[d]imidazole

10. Pantoprazole Sulphone Sodium Salt

11. Unii-olw375vge9

12. 5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfonyl]-1h-benzimidazole

13. Pantoprazolesulfone

14. 1h-benzimidazole, 6-(difluoromethoxy)-2-(((3,4-dimethoxy-2-pyridinyl)methyl)sulfonyl)-

15. 5-(difluoromethoxy)-2-[[(3,4-dimethoxypyridin-2-yl)methyl]sulphonyl]-1h-benzimidazole (pantoprazole Sulphone)

16. 1h-benzimidazole,6-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfonyl]-

17. Schembl538298

18. Schembl15475057

19. Dtxsid60155666

20. Chebi:190072

21. Zinc6278461

22. Akos030239945

23. F77358

24. Pantoprazole Related Compound A [usp-rs]

25. J-005540

26. Pantoprazole Related Compound A [usp Impurity]

27. Q27285723

28. Pantoprazole Sodium Sesquihydrate Impurity A [ep Impurity]

29. 1h-benzimidazole, 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfonyl]-

30. 5-(difluoromethoxy)-1h-benzimidazole-2-yl(3,4-dimethoxy-2-pyridylmethyl) Sulfone

31. 5-(difluoromethoxy)-2-(((3,4-dimethoxy-2-pyridyl)methyl)sulfonyl)-1h-benzimidazole

32. 6-(diluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulonyl]-1h-benzimidazole

33. 5-(difluoromethoxy)-2-(((3,4-dimethoxypyridin-2-yl)methyl)sulfonyl)-1h-benzimidazole

2.4 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₅F₂N₃O₅S
Molecular Weight	399.4 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Exact Mass	399.07004809 g/mol
Monoisotopic Mass	399.07004809 g/mol
Topological Polar Surface Area	112 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	591
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