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Pantoprazole-[d3]

General Information
Catalog: BLP-012505
CAS: 922727-37-5
Molecular Formula: C16H12D3F2N3O4S
Molecular Weight: 386.39
Chemical Structure
Pantoprazole-[d3]
Description Pantoprazole-[d3] is the labelled analogue of Pantoprazole, which is a proton pump inhibitor used for short-term treatment of erosive esophagitis associated with gastroesophageal reflux disease (GERD).
Synonyms Pantoprazole D3; 6-(difluoromethoxy)-2-[[[3-methoxy-4-(methoxy-d3)-2-pyridinyl]methyl]sulfinyl]-1H-Benzimidazole; 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-d3-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole
IUPAC Name 6-(difluoromethoxy)-2-[[3-methoxy-4-(trideuteriomethoxy)pyridin-2-yl]methylsulfinyl]-1H-benzimidazole
Related CAS 102625-70-7 (unlabelled)
Canonical SMILES COC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OC
InChI InChI=1S/C16H15F2N3O4S/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)/i1D3
InChI Key IQPSEEYGBUAQFF-FIBGUPNXSA-N
Boiling Point 586.9±60.0 °C at 760 mmHg
Melting Point >140°C (dec.)
Purity 95% by HPLC; 95% atom D
Density 1.5±0.1 g/cm3
Solubility Soluble in Chloroform, Methanol
Appearance Off-white to Pale Beige Solid
Storage Store at -20°C, under inert atmosphere

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