PANTOPRAZOLE SULPHONE SODIUM SALT

A metabolite of Pantoprazole (P183000), an antiulcerative, gastric pump inhibitor. PANTOPRAZOLE SULPHONE SODIUM SALTSupplier View more+

1. Names and Identifiers

1.2 Synonyms: [(3,4-Dimethoxypyridin-2-yl)methyl][5-(difluoromethoxy)-1H-benzimidazol-2-yl] sulfone; 1H-Benzimidazole, 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfonyl]-; 1H-Benzimidazole, 6-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfonyl]-; 5-(Difluoromethoxy)-1H-benzimidazole-2-yl(3,4-dimethoxy-2-pyridylmethyl) sulfone; 5-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridyl)methylsulfonyl]-1h-benzimidazole; 5-(Difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfonyl]-1H-benzimidazole; 6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfonyl]-1H-benzimidazole; 6-(Difluoromethoxy)-2-{[(3,4-dimethoxy-2-pyridinyl)methyl]sulfonyl}-1H-benzimidazole; Pantoprazole EP IMpurity A; Pantoprazole EP IMpurity-A (PantoprazoleSulfone) (USP RC A); Pantoprazole Related Compound A; Pantoprazole Related Compound A (25 mg) (5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfonyl]-1H-benzimidazole); Pantoprazole Sulphone (IMpurity A); T56 BM DNJ GOYFF CSW1- BT6NJ CO1 DO1;

1.6 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)

1.8 Canonical Smiles: COC1=C(OC)C(CS(=O)(=O)C2=NC3=CC=C(OC(F)F)C=C3N2)=NC=C1

1.9 Isomers Smiles: COC1=C(C(=NC=C1)CS(=O)(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OC

2. Properties

3. Use and Manufacturing

3.1 Usage: A metabolite of Pantoprazole (P183000), an antiulcerative, gastric pump inhibitor. PANTOPRAZOLE SULPHONE SODIUM SALTSupplier

4. MSDS

no data available

no data available

5. Computed Properties

Molecular Weight：399.37g/mol
Molecular Formula：C₁₆H₁₅F₂N₃O₅S
Compound Is Canonicalized：True
Exact Mass：2.4
XLogP3-AA：399.07004809
Monoisotopic Mass：399.07004809
Complexity：591
Rotatable Bond Count：7
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：9
Topological Polar Surface Area：112
Heavy Atom Count：：27
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccB7OYBAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB/AAAHwQQAAAACAzF1ha/1rbJlAqgATRnZHTK2i3xcrAJ2SA//JiPbuLkuZuVMCpu0Bva6CewUAMAAEAAAgAAACAAgAAEAAAAQAAAAAAAAA==

6.Other Information

Uses: A metabolite of Pantoprazole (P183000), an antiulcerative, gastric pump inhibitor.

Mesh Entry Terms: 5-difluoromethoxy-2-((3,4 dimethoxy-2-pyridyl)methylsulfonyl)-1H-benzimidazole

Uses: Pantoprazole Sulfone (Pantoprazole EP Impurity A) is a metabolite of Pantoprazole (P183000), an antiulcerative, gastric pump inhibitor. Pantoprazole USP Related Compound A.

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