chempirical

5-Difluoromethoxy-2-[[(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl]-1H-benzimidazole sodium salt

C16H15F2N3NaO4SCAS 138786-67-1406.36 g/mol

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Salt ratio not recorded. The source lists this compound as the parent acid and the metal without saying how many of each, so the formula and molar mass are for one of each. Check the formula on the supplier's label before you weigh it.
ONSONOFFNHONa
Alkyl halideEtherSulfoxide

Properties

Molecular formula
C16H15F2N3NaO4S
Molar mass
406.36 g/mol
Exact mass
406.0649 Da
Melting point
above 130 °C (decomposes)
logP
2.50Crippen estimate
Polar surface area
86.3 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
7

Identifiers

CAS number
138786-67-1
SMILES
COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC.[Na]
InChIKey
WHCXDEORRDVLKS-UHFFFAOYSA-N
InChI
InChI=1S/C16H15F2N3O4S.Na/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16;/h3-7,15H,8H2,1-2H3,(H,20,21);

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Names and synonyms

11 names
  • 1H-Benzimidazole, 6-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-, sodium salt (1:1)
  • 1H-Benzimidazole, 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-, sodium salt
  • Pantoprazole sodium
  • Protonix
  • Controloc
  • Pantoloc
  • Pantoprazole sodium salt
  • Zurcal
  • Pantecta
  • Nolpaza
  • Somac

Work with 5-Difluoromethoxy-2-[[(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl]-1H-benzimidazole sodium salt

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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