138786-67-1 (Pantoprazole sodium)

1. Introduction of Pantoprazole sodium (CAS NO.: 138786-67-1)

Pantoprazole sodium (CAS NO.: 138786-67-1) is a kind of white or almost white crystalline powder. And this product is freely soluble in water and methanol, very slightly soluble in phosphate buffer at pH 7.4 while practically insoluble in chloroform and aether.

Pantoprazole sodium could be applied as the antiacid drugs which could reduce gastric acid secretion; And it could also be used as the proton pump inhibitor drug which is used to treat erosive esophagitis (caused by gastroesophageal reflux disease (GERD)) and hypersecretory conditions such as Zollinger-Ellison syndrome. This chemical could increase gastric mucus and bicarbonate production, creating protective coating on gastric mucosa.

2. Basic Information of Pantoprazole sodium (CAS NO.: 138786-67-1)

1). General Knowledge of Pantoprazole sodium

Pantoprazole sodium, with its CAS registry number 138786-67-1, has its systematic name of 1H-Benzimidazole, 5-(difluoromethoxy)-2-(((3,4-dimethoxy-2-pyridinyl)methyl)sulfinyl)-, sodiums salt. With its chemical formula of C₁₆H₁₄F₂N₃NaO₄S and molecular weight of 405.35, it is a kind of white to off-white solid and it belongs to the applicable category which includes Cardiovascular agents.

2). Specification of Pantoprazole sodium (CAS NO.: 138786-67-1)

Pantoprazole sodium (CAS NO.: 138786-67-1) has the following specification details: (1)Purity: ≥98% on the anhydrous basis; (2)Loss on drying: 4~6%; (3)PH: 9.5~11; (4)Related impurities: The peak area of total impurities ≤1%; (5) The peak area of individual impurity: ≤0.3%; (6)Heavy metal: ≤20ppm; (7)Applicable category: drug of digestive system.

3). Properties of Pantoprazole sodium (CAS NO.: 138786-67-1)

The other characteristics of Pantoprazole sodium can be summarized as: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 105.54.

4). Safety Information of Pantoprazole sodium (CAS NO.: 138786-67-1)

When you are dealing with Pantoprazole sodium (CAS NO.: 138786-67-1), you should be careful and then take some measures to protect yourself from damage. For being irritating to respiratory system and skin, this chemical may cause damage to health and it will be harmful if by inhalation, in contact with skin and if swallowed. Besides, it has danger of serious damage to health by prolonged exposure.

Due to so many danges, people should take the following instructions. Before using Pantoprazole sodium, wear suitable protective clothing, gloves and eye/face protection, and remember not to breathe dust. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice, and if in case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). 

5). Manufacture of Pantoprazole sodium (CAS NO.: 138786-67-1)

Preparation of Pantoprazole sodium (CAS NO.: 138786-67-1): Prepare the intermediate of 2-(Chloromethyl)-3,4-dimethoxypyridinium or its salt and 5-(Difluoromethoxy)-2-mercapto-1H-benzimidazole, and then these two chemical could react to produce 5-Difluoromethoxy-2-{[(3,4-dimethoxy-2-pyridinyl)methyl]thio}-1H-benzimidazole in the presence of the catalyst of sodium iodide; Next, go through the process of oxidation to afford pantoprazole; At last, the compound pantoprazole could react with sodium salt solution to obtain pantoprazole sodium.

6). Descriptors of Structure

(1)SMILES:[Na+].FC(F)Oc1ccc2[n-]c(nc2c1)S(=O)Cc3nccc(OC)c3OC
(2)InChI:InChI=1/C16H14F2N3O4S.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;/q-1;+1
(3)InChIKey:YNWDKZIIWCEDEE-UHFFFAOYAR

7). Toxicity of Pantoprazole sodium (CAS NO.: 138786-67-1)