Products Categories
| CAS No.: | 138786-67-1 |
|---|---|
| Name: | 5-(Difluoromethoxy)-2-(((3,4-dimethoxy-2-pyridinyl)methyl) sulfinyl)-1H-benzimidazole sodium |
| Article Data: | 25 |
| Molecular Structure: | |
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|
|
| Formula: | C16H15F2N3NaO4S |
| Molecular Weight: | 405.357 |
| Synonyms: | 1H-Benzimidazole,5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-, sodium salt (9CI);5-Difluoromethoxy-2-[[(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl]-1H-benzimidazolesodium salt;Controloc;Pantecta;Pantoloc;Pantoprazolesodium salt;Protonix;Zurcal;1H-Benzimidazole, 6-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-, sodium salt (1:1); |
| EINECS: | 604-093-4 |
| Melting Point: | 199-202 °C |
| Boiling Point: | 586.9oC at 760 mmHg |
| Flash Point: | 308.7oC |
| Appearance: | white to off-white solid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-37/38-41-48 |
| Safety: | 22-26-36/37/39-45 |
| PSA: | 94.68000 |
| LogP: | 3.53580 |
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- 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole
- 138786-67-1
pantoprazole sodium
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water; acetonitrile at 20℃; | 95% |
| With sodium hydroxide In ethanol for 5h; Reflux; | 95% |
| With sodium hydroxide In water; ethyl acetate at 20℃; for 5.5h; | 92% |
- 102625-64-9
pantoprazole sulfide
- 138786-67-1
pantoprazole sodium
| Conditions | Yield |
|---|---|
| Stage #1: pantoprazole sulfide With sodium hydroxide; tert-butylhypochlorite In dichloromethane; water at 0 - 5℃; for 1h; Stage #2: With sodium hydroxide In water; acetone at 0 - 25℃; for 7h; | 95% |
| Stage #1: pantoprazole sulfide With potassium tungstate dihydrate; dihydrogen peroxide at -5 - 0℃; for 4.5h; pH=3.5; Stage #2: With sodium hydroxide In water at 20℃; Temperature; Reagent/catalyst; | 78.7% |
| With sodium hypochlorite; sodium hydroxide In methanol; water at -20 - -5℃; | |
| Stage #1: pantoprazole sulfide With sodium hypochlorite; sodium hydroxide In water; acetonitrile at -5 - 30℃; Stage #2: With acetic acid In dichloromethane at 25 - 30℃; pH=8 - 8.5; Stage #3: With sodium hydroxide In dichloromethane; water at 25 - 30℃; Concentration; | |
| Stage #1: pantoprazole sulfide With sodium hypochlorite; water; sodium hydroxide In ethyl acetate at 0 - 10℃; for 7h; Stage #2: With sodium thiosulfate In ethyl acetate for 0.333333h; |
- 97963-62-7
5-(difluoromethoxy)-2-mercapto-1H-benzimidazole
- 72830-09-2
2-Chloromethyl-3,4-dimethoxy-pyridine; hydrochloride
- 138786-67-1
pantoprazole sodium
| Conditions | Yield |
|---|---|
| Stage #1: 5-(difluoromethoxy)-2-mercapto-1H-benzimidazole; 2-Chloromethyl-3,4-dimethoxy-pyridine; hydrochloride With sodium hydroxide; tetrabutylammomium bromide In dichloromethane; water at 25 - 30℃; for 12h; Stage #2: With sodium hydroxide; sodium hypochlorite In dichloromethane; water at 0 - 8℃; for 6h; Product distribution / selectivity; | 83% |
- 97963-62-7
5-(difluoromethoxy)-2-mercapto-1H-benzimidazole
- 138786-67-1
pantoprazole sodium
| Conditions | Yield |
|---|---|
| Stage #1: 2-hydroxymethyl-3,4-dimethoxypyridine hydrochloride With thionyl chloride In dichloromethane at 0 - 15℃; for 1h; Stage #2: 5-(difluoromethoxy)-2-mercapto-1H-benzimidazole With sodium hydroxide; tetrabutylammomium bromide In dichloromethane; water at 10 - 30℃; for 12h; pH=10 - 11; Stage #3: With sodium hydroxide; sodium hypochlorite In dichloromethane; water at 0 - 8℃; for 6h; Product distribution / selectivity; | 79.6% |
- 368890-20-4
(5-difluoromethoxy)-2-[(4-chloro-3-methoxy-2-pyridinyl)methyl]thio-1H-benzimidazole
- 124-41-4
sodium methylate
- 138786-67-1
pantoprazole sodium
| Conditions | Yield |
|---|---|
| In methanol at 50℃; Heating / reflux; | 70.8% |
- 409098-86-8
5-(difluoromethoxy)-2-[[(4-chloro-3-methoxy-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole
- 138786-67-1
pantoprazole sodium
| Conditions | Yield |
|---|---|
| With sodium methylate In methanol at 50℃; Heating / reflux; | 70.8% |
- 102625-64-9
pantoprazole sulfide
B
- 138786-67-1
pantoprazole sodium
| Conditions | Yield |
|---|---|
| With sodium hydroxide; sodium hypochlorite In water; ethyl acetate at -5℃; for 1 - 1.5h; Product distribution / selectivity; | A n/a B 65% C n/a |
- 97963-62-7
5-(difluoromethoxy)-2-mercapto-1H-benzimidazole
- 138786-67-1
pantoprazole sodium
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: sodium hydroxide / ethanol / 8 h / 80 °C 2: 3-chloro-benzenecarboperoxoic acid / chloroform / 4 h / 0 °C 3: sodium hydroxide / ethanol / 5 h / Reflux View Scheme | |
| Multi-step reaction with 3 steps 1: sodium hydroxide / water; methanol / 3.5 h / 40 - 55 °C 2: LACTIC ACID; peracetic acid / methanol; dichloromethane / 1 h / -25 - -20 °C 3: sodium hydroxide / water; acetone / 40 - 45 °C View Scheme |
- 1310-73-2
sodium hydroxide
- 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole
- 138786-67-1
pantoprazole sodium
| Conditions | Yield |
|---|---|
| In water; acetonitrile at 25 - 35℃; for 1h; | |
| In ethanol; dichloromethane; water at 20℃; pH=12.5; Product distribution / selectivity; |
- 97963-62-7
5-(difluoromethoxy)-2-mercapto-1H-benzimidazole
- 138786-67-1
pantoprazole sodium
| Conditions | Yield |
|---|---|
| Stage #1: 2-chloromethyl-3,4-dimethoxypyridine hydrochloride; 5-(difluoromethoxy)-2-mercapto-1H-benzimidazole With sodium hydroxide In ethanol; water at 35℃; for 2h; Stage #2: With sodium borate In ethanol at 45℃; for 2h; Stage #3: With dihydrogen peroxide In water at 20℃; for 2.5h; Concentration; Temperature; | 19.61 g |
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Specification
The Pantoprazole sodium, with the CAS registry number 138786-67-1, is also known as 1H-Benzimidazole, 6-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-, sodium salt (1:1). It belongs to the product categories of Active Pharmaceutical Ingredients; Antibiotic Explorer; Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals; Pantoprazole; Aromatics; Heterocycles; Sulfur & Selenium Compounds. This chemical's molecular formula is C16H15F2N3NaO4S and molecular weight is 406.36. What's more, its systematic name is 5-(Difluoromethoxy)-2-{[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazole - sodium (1:1). Its classification code is Drug / Therapeutic Agent. This chemical is an antiulcerative and a gastric pump inhibitor.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to respiratory system and skin. This substance has a risk of serious damage to eyes and has a danger of serious damage to health by prolonged exposure. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You should not breathe dust. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccnc(c1OC)CS(=O)c2[nH]c3ccc(cc3n2)OC(F)F.[NaH]
(2)Std. InChI: InChI=1S/C16H15F2N3O4S.Na.H/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);;
(3)Std. InChIKey: WOLQSLCSAWUFCD-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 395mg/kg (395mg/kg) | Drugs of the Future. Vol. 15, Pg. 801, 1990. | |
| mouse | LD50 | oral | > 1gm/kg (1000mg/kg) | Drugs of the Future. Vol. 15, Pg. 801, 1990. | |
| rat | LD50 | intravenous | 256mg/kg (256mg/kg) | Drugs of the Future. Vol. 15, Pg. 801, 1990. | |
| rat | LD50 | oral | 747mg/kg (747mg/kg) | Drugs of the Future. Vol. 15, Pg. 801, 1990. |