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Chemical structure of Pantoprazole N-oxide

GC49876

Pantoprazole N-oxide

Also known as 6-(difluoromethoxy)-2-[(3,4-dimethoxy-1-oxidopyridin-1-ium-2-yl)methylsulfinyl]-1H-benzimidazole

A potential impurity found in bulk preparations of pantoprazole

ChemicalCAS953787-60-5MW399.4FormulaC16H15F2N3O5S
CAS number
953787-60-5
Molecular weight
399.4
Formula
C16H15F2N3O5S
Solubility
DMF： 14 mg/mL,DMSO： 14 mg/mL,Ethanol： Slightly soluble,PBS (pH 7·2)： 0·20 mg/mL
InChIKey
BHJURHFGXQKOST-UHFFFAOYSA-N
Catalogue number
GC49876
Brand
GLPBIO
Computed properties PubChem CID 23656392 · XLogP 1.4 · TPSA 118 Ų · H-bond donors 1
XLogP
1.4
TPSA
118 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
27

SMILES COC1=C(C(=[N+](C=C1)[O-])CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OC

Computed descriptors from PubChem (CID 23656392), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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