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Home >> Chemical Listing >> Page 3113 >> 5-(Difluoromethoxy)-2-{[(3,4-dimethoxy-1-oxido-2-pyridinyl)methyl]sulfanyl}-1H-benzimidazole

5-(Difluoromethoxy)-2-{[(3,4-dimethoxy-1-oxido-2-pyridinyl)methyl]sulfanyl}-1H-benzimidazole
[CAS# 953787-51-4]

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Identification
Name 5-(Difluoromethoxy)-2-{[(3,4-dimethoxy-1-oxido-2-pyridinyl)methyl]sulfanyl}-1H-benzimidazole
Synonyms Pantoprazole Sulfide N-Oxide (Pantoprazole Impurity)
Molecular Structure CAS#: 953787-51-4, 5-(Difluoromethoxy)-2-{[(3,4-dimethoxy-1-oxido-2-pyridinyl)methyl]sulfanyl}-1H-benzimidazole
Molecular Formula C16H15F2N3O4S
Molecular Weight 383.37
CAS Registry Number 953787-51-4
SMILES COc1cc[n+](c(c1OC)CSc2[nH]c3ccc(cc3n2)OC(F)F)[O-]
InChI 1S/C16H15F2N3O4S/c1-23-13-5-6-21(22)12(14(13)24-2)8-26-16-19-10-4-3-9(25-15(17)18)7-11(10)20-16/h3-7,15H,8H2,1-2H3,(H,19,20)
InChIKey NQUQOQLHXGSYRG-UHFFFAOYSA-N
Properties
Density 1.474g/cm3 (Cal.)
Boiling point 625.375°C at 760 mmHg (Cal.)
Flash point 332.015°C (Cal.)
Refractive index 1.616 (Cal.)
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