Esomeprazole sodium
- Iupac Name：sodium;5-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-3-ide
- CAS No.: 161796-78-7
- Molecular Weight：367.399
- Modify Date.: 2022-11-05 05:12
- Introduction: Treatment of peptic ulcer, gastroesophageal reflux disease and other acid-related diseases.
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1. Names and Identifiers
- 1.1 Name
- Esomeprazole sodium
- 1.2 Synonyms
(S)-OMeprazole sodiuM 1H-Benzimidazole, 5-methoxy-2-[(S)-[(1S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-, sodium salt (1:1) 1H-benzimidazole, 5-methoxy-2-[(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-, sodium salt 1H-BENZIMIDAZOLE, 5-METHOXY-2-[[(4-METHOXY-3,5-DIMETHYL-2-PYRIDINYL)METHYL]SULFINYL]-, SODIUM SALT 1H-BENZIMIDAZOLE,5-METHOXY-2-[[(4-METHOXY-3,5-DIMETHYL-2-PYRIDINYL)METHYL]SULFINYL]-,SODIUM SALT 5-méthoxy-2-{(S)-[(4-méthoxy-3,5-diméthylpyridin-2-yl)méthyl]sulfinyl}benzimidazol-1-ide de sodium 5-Methoxy-2-((S)-((4-methoxy-3,5-dimethyl-2-pyridyl)methyl)sulfinyl-1H-benzimidazole sodium salt Esomeprazole Esomeprazole (sodium) EsoMeprazole sod Esomeprazoleandsalts Natrium-5-methoxy-2-{(S)-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}benzimidazol-1-id odiuM (R)-6-Methoxy-2-(((4-Methoxy-3,5-diMethylpyridin-2-yl)Methyl)sulfinyl)benzo[d]iMidazol-1-ide SodiuM (S)-6-Methoxy-2-(((4-Methoxy-3,5-diMethylpyridin-2-yl)Methyl)sulfinyl)benzo[d]iMidazol-1-ide Sodium 5-methoxy-2-{(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl}benzimidazol-1-ide sodium 5-methoxy-2-{(S)-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}benzimidazol-1-ide
- View all
- 1.3 CAS No.
- 161796-78-7
- 1.4 CID
- 46853837
- 1.5 EINECS(EC#)
- 620-470-6
- 1.6 Molecular Formula
- C17H18N3NaO3S (isomer)
- 1.7 Inchi
- InChI=1S/C17H18N3O3S.Na/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;/h5-8H,9H2,1-4H3;/q-1;+1/t24-;/m0./s1
- 1.8 InChIkey
- RYXPMWYHEBGTRV-JIDHJSLPSA-N
- 1.9 Canonical Smiles
- CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=C(C=C3)OC.[Na+]
- 1.10 Isomers Smiles
- CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C([N-]2)C=C(C=C3)OC.[Na+]
2. Properties
- 2.1 Melting point
- 156 °C (approx)
- 2.1 Boiling point
- 600 °C at 760 mmHg
- 2.1 Flash Point
- 316.7 °C
- 2.1 Precise Quality
- 367.09700
- 2.1 PSA
- 85.45000
- 2.1 logP
- 3.55120
- 2.1 Appearance
- White to Light yellow powder to crystal
- 2.2 Chemical Properties
- Beige Solid
- 2.3 Color/Form
- Powder
- 2.4 StorageTemp
- Inert atmosphere,Store in freezer, under -20°C
3. Use and Manufacturing
- 3.1 Usage
- Treatment of peptic ulcer, gastroesophageal reflux disease and other acid-related diseases.
4. Safety and Handling
- 4.1 Specification
-
1H-Benzimidazole,6-methoxy-2-[(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-, sodiumsalt (1:1) , its cas register number is 161796-78-7. It also can be called 5-Methoxy-2-((S)-((4-methoxy-3,5-dimethyl-2-pyridyl)methyl)sulfinyl-1H-benzimidazole sodium salt ; and Esomeprazole sodium . Its classification code is Gastric acid secretion inhibitor.
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Acute toxicity - Oral, Category 4
Skin sensitization, Category 1
Eye irritation, Category 2
Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |   |
| Signal word | Warning |
| Hazard statement(s) | H302 Harmful if swallowed H317 May cause an allergic skin reaction H319 Causes serious eye irritation H411 Toxic to aquatic life with long lasting effects |
| Precautionary statement(s) | |
| Prevention | P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P272 Contaminated work clothing should not be allowed out of the workplace. P280 Wear protective gloves/protective clothing/eye protection/face protection. P273 Avoid release to the environment. |
| Response | P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P333+P313 If skin irritation or rash occurs: Get medical advice/attention. P321 Specific treatment (see ... on this label). P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P391 Collect spillage. |
| Storage | none |
| Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
7. Other Information
- 7.0 Pharmacokinetics
- After intravenous injection of 5mg/kg 14C-labeled esomeprazole sodium into the SD rats, the half-life of the plasma concentration for female rats is 7.3 h, and 17.4 h for female rats. It can be rapidly absorbed through oral administration. Its plasma level exhibits bimodal peaks at 1h and 4h after taking drugs, respectively. The biliary drainage experiments of rats found that the absorption process after administration have a duration of 24 h or more. The order of concentration of drug in different organs is as below: liver> kidney> lung> blood> fat. For oral administration, the drug is mainly excreted through feces. The pharmacokinetics curve of esomeprazole is linear. When increasing the dose, the AUCs and cmax concurrently increase, while tmax, CL and half-life still keep constant.
Esomeprazole sodium has a relative low toxicity. LD50 of rat through oral administration is greater than 5g/kg. For intraperitoneal administration, the LD50 is also over 2.5g/kg. Canine can take a dose 10mg/kg dose per day continuously for 28 d with no obvious abnormalities observed. For rats subjected to continuous medication for 13 weeks at a dose of 80 mg/kg, all the physiological parameters were not changed. The toxicity amount is over 320 mg/kg. In general pharmacological experiments, this product has a extremely small effect on the cardiovascular and autonomic nervous system. It only has a slight effect on the central nervous system at high dosage. - View all
- 7.1 Indications
- For the treatment of Gastroesophageal reflux disease (GERD)-erosive reflux esophagitis.
Used for long-term maintenance therapy for cured esophagitis patients to prevent recurrence.
Symptomatic control of gastroesophageal reflux disease (GERD).
Heartburn and combined with other appropriate antimicrobial therapy for totally eradication of Helicobacter pylori-induced gastric and duodenal ulcers.
- 7.2 Drug Interactions
- Esomeprazole sodium can reduce the absorption of ketoconazole and itraconazole. When combined with the product, we should reduce the dosages of drugs metabolized by the enzyme CYP2C19 such as diazepam, citalopram, imipramine, clomipramine and phenytoin. When combined with the product or stop using this product, we should also monitor the plasma concentrations of phenytoin.
No interaction between the product and the amoxicillin, quinidine or warfarin was observed. No need for dose adjustment when combined with clarithromycin.
There is not too much clinical information of excess taking drug. But a single dose of 80 mg of this product has no adverse reactions. This product has no special antidote.
- 7.3 Dosage
- This product should be swallowed with water, and cannot be taken after chewing or crushing.
Adults: For treatment of erosive reflux esophagitis: 40mg per day. Continuously take for 4 to 8 weeks. For long-term maintenance therapy and prevention of relapse for cured esophagitis patients, the recommended dosage is 20mg per day. For symptomatic CORD without suffering from esophagitis: 20mg per day. Take it for 4 weeks (If fail to control the symptoms, the patient should subject to further observation). Once symptoms have been got controlled, then the can use the dosage as needed for controlling the future symptom, such as 20 mg per day. For the triple associated therapy used for Helicobacter pylori eradication, prevention and cure of duodenal ulcer caused by Helicobacter pylori, and also Helicobacter pylori-induced recurrence of peptic ulcer: 20mg, amoxicillin 1g and clarithromycin 500mg, 2 times a day, medication for 7d.
For elderly patients or patients of mild or moderate hepatic impairment, there is no need for dosage adjustment. It should be concerned that the maximal dosage should not exceed 20 mg for patients with severely impaired liver function.
Children and lactating women are not recommended for taking this drug. - View all
- 7.4 Side effects
- Common adverse reactions (incidence of 1% to 10%) include headache, abdominal pain, diarrhea, gastrointestinal disorders, flatulence, nausea and vomiting, and constipation. Other adverse reactions (incidence of 0.1% to 1%) include dermatitis, itching, hives, dizziness, and dry mouth.
- 7.5 Precautions
- Patients who are allergic to Benzimidazole-class drug are not allowed to use esomeprazole sodium. Patients of rare hereditary fructose intolerance, glucose-galactose absorption dysfunction, sucrase-isomaltase deficiency, and also lactation women are not allowed to use this drug.
Patients who have severe impaired liver or renal function, long-term treatment, malignant warning before using, and pregnant women should use with caution. When any warning symptoms (such as significant weight loss, recurrent vomiting, dysphagia, vomiting blood or black stools) happens, patients should be checked to exclude the possibility of malignant disorders (such as cancer) due to that treatment can worsen the symptoms and delay diagnosis. Long-term user should be regularly monitored.
- 7.6 Uses
- Treatment of peptic ulcer, gastroesophageal reflux disease and other acid-related diseases.
- 7.7 Chemical Properties
- Beige Solid
- 7.8 Uses
- (S)-Omeprazole is the (S)-enantiomer of Omeprazole (O635000) a gastric proton-pump inhibitor. (S)-Omeprazole is more potent that its (R)-enantiomer and is used in the treatment of gastroesophageal ref lux disease as well as gastrointestinal ulcers associated with Crohn's disease.
- 7.9 Brand name
- Nexium (AstraZeneca).
8. Computational chemical data
- Molecular Weight: 367.399g/mol
- Molecular Formula: C17H18N3NaO3S
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 367.09665690
- Monoisotopic Mass: 367.09665690
- Complexity: 459
- Rotatable Bond Count: 5
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Topological Polar Surface Area: 81.5
- Heavy Atom Count: 25
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 2
- CACTVS Substructure Key Fingerprint: AAADceB7MCBAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB/AAAHgQAAAAADAzF3ga/1rYIFAqgAzRnZEDK2C1xMrAJ2CA+fJiMbuLkuZuUMChuwBvI6CewUAMOAEAAAgAAACAAgAAEAAAAQAAAAAAAAA==
9. Question & Answer
-
Esomeprazole sodium injection is mainly composed of Esomeprazole sodium. The excipients include disodium edetate and sodium hydroxide. Indications 1. It is used as an alternative therapy for gastroeso..
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11. Realated Product Infomation
skype
1YR
![[2H6]-Esomeprazole](https://structimg.guidechem.com/4/40/3521919.png)
