PANTOPRAZOLE SULPHONE SODIUM SALT Chemical Properties

Melting point:

145-150℃

Boiling point:

586.3±60.0 °C(Predicted)

Density 

1.457±0.06 g/cm3(Predicted)

storage temp. 

Store at -20°C

solubility 

DMF: 30 mg/ml; DMSO: 30 mg/ml; DMSO:PBS (pH 7.2) (1:1): 0.5 mg/ml; Ethanol: 5 mg/ml

form 

solid

pka

7.40±0.10(Predicted)

BRN 

9430498

Major Application

pharmaceutical (small molecule)

InChI

1S/C16H15F2N3O5S/c1-24-13-5-6-19-12(14(13)25-2)8-27(22,23)16-20-10-4-3-9(26-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)

InChIKey

FCJYMBZQIJDMMM-UHFFFAOYSA-N

SMILES

FC(F)Oc1cc2nc([nH]c2cc1)[S](=O)(=O)Cc3nccc(c3OC)OC

Safety Information

WGK Germany 

WGK 3

HS Code 

2933399090

Storage Class

11 - Combustible Solids

PANTOPRAZOLE SULPHONE SODIUM SALT Usage And Synthesis

Chemical Properties

Brown to Purple Solid

Uses

Pantoprazole Sulfone (Pantoprazole EP Impurity A) is a metabolite of Pantoprazole (P183000), an antiulcerative, gastric pump inhibitor. Pantoprazole USP Related Compound A.

Definition

ChEBI: 1H-Benzimidazole, 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfonyl]- is a member of benzimidazoles and a sulfoxide.

Synthesis

Pantoprazole impurity A was prepared as follows: 237 mg (815 ??mol) of S-dichloro chiral ligand, 95.8 mg (271 ??mol) of ferric triacetylacetonate (Iron(III) acetylacetonate), and the lithium salt of 4-dimethylamino benzoic acid, 23.4 mg (137 ??mol), were suspended at 25 ??C in 5 mL of ethyl acetate and stirred for more than 30 minutes. 1.00 g (2.72 mmol) of the sulfide structure of pantoprazole and 5 mL of ethyl acetate were added. After cooling the mixture to -8??C at a cooling rate of 1??C per minute, 556 ??L (5.44 ??mol) of a 30% aqueous hydrogen peroxide solution was added dropwise over 1 min. After 44 h, the reaction mixture was analyzed by HPLC analysis condition 2 as well as HPLC analysis condition 3. Containment: 75% of the sulfoxide structural body; 13% of the sulfone structural (pantoprazole impurity A) body; and 12% of the sulfide structural body.

PANTOPRAZOLE SULPHONE SODIUM SALT(127780-16-9)Related Product Information

• N-[4-(difluoromethoxy)-2-nitrophenyl]acetamide
• 4-Difluoromethoxy-2-nitro-aniline
• Pantoprazole Impurity 11
• Pantoprazole
• Parecoxib Impurity 18
• Pantoprazole EP Impurity F
• (+)-(R)-Pantoprazole
• N-[(3,4-DiMethoxy-2-pyridinyl)Methyl] Pantoprazole Sulfide
• PANTOPRAZOLE SODIUM SESQUIHYDRATE
• PANTOPRAZOLE SULFONE N-OXIDE
• 2-(((3,4-dimethoxypyridin-2-yl)methyl)thio)-1H-benzo[d] imidazol-5-ol
• N-Methyl Pantoprazole, mixture of 1 and 3 isomers
• 3-(2'-DEOXY-BETA-D-2-RIBOFURANOSYL)PYRIDO[2,3-D]PYRIMIDINE-2,7(8H)-DIONE
• 5-(Difluoromethoxy)-2-mercapto-1H-benzimidazole
• 5-Difluoromethoxy-2-{[(3,4-dimethoxy-2-pyridinyl)methyl]thio}-1H-benzimidazole
• Pantoprazole Sodium
• Parecoxib Impurity 20
• Parecoxib Impurity 14