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Chemical structure of Pantoprazole sulfone

GC44555

Pantoprazole sulfone

Also known as 6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfonyl]-1H-benzimidazole

Pantoprazole sulfone is a metabolite of the gastric H+/K+ ATPase pump inhibitor pantoprazole

ChemicalCAS127780-16-9MW399.4FormulaC16H15F2N3O5S
CAS number
127780-16-9
Molecular weight
399.4
Formula
C16H15F2N3O5S
Solubility
DMF： 30 mg/ml,DMSO： 30 mg/ml,DMSO：PBS (pH 7·2) (1：1)： 0·5 mg/ml,Ethanol： 5 mg/ml
InChIKey
FCJYMBZQIJDMMM-UHFFFAOYSA-N
Catalogue number
GC44555
Brand
GLPBIO
Computed properties PubChem CID 195546 · XLogP 2.4 · TPSA 112 Ų · H-bond donors 1
XLogP
2.4
TPSA
112 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
27

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

Computed descriptors from PubChem (CID 195546), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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