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Also known as: Esomeprazole potassium, Esomeprazole potassium [usan], F37s7g37o2, Nsc-759647, Esomeprazole potassium (usan), Unii-f37s7g37o2
Molecular Formula
C17H18KN3O3S
Molecular Weight
383.5  g/mol
InChI Key
FOFFPEFVSRGLOZ-JIDHJSLPSA-N
FDA UNII
F37S7G37O2

CAS 161796-84-5
The S-isomer of omeprazole.
1 2D Structure

CAS 161796-84-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
potassium;5-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide
2.1.2 InChI
InChI=1S/C17H18N3O3S.K/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
2.1.3 InChI Key
FOFFPEFVSRGLOZ-JIDHJSLPSA-N
2.1.4 Canonical SMILES
CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.[K+]
2.1.5 Isomeric SMILES
CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C([N-]2)C=CC(=C3)OC.[K+]
2.2 Other Identifiers
2.2.1 UNII
F37S7G37O2
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Esomeprazole

2. Esomeprazole Magnesium

3. Esomeprazole Potassium

4. Esomeprazole Sodium

5. Esomeprazole Strontium

6. Esomeprazole Strontium Anhydrous

7. Nexium

8. Strontium, Esomeprazole

2.3.2 Depositor-Supplied Synonyms

1. Esomeprazole Potassium

2. Esomeprazole Potassium [usan]

3. F37s7g37o2

4. Nsc-759647

5. Esomeprazole Potassium (usan)

6. Unii-f37s7g37o2

7. Chembl2105642

8. Dtxsid20167240

9. Esomeprazole Potassium [mart.]

10. Esomeprazole Potassium [who-dd]

11. Nsc 759647

12. D09339

13. Q27277571

14. (-)-5-methoxy-2-((s)-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1h- Benzimidazole Potassium Salt

15. 1h-benzimidazole, 6-methoxy-2-((s)-((4-methoxy-3,5-dimethyl-2- Pyridinyl)methyl)sulfinyl)-, Potassium Salt (1:1)

16. 1h-benzimidazole, 6-methoxy-2-((s)-((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)-, Potassium Salt (1:1)

2.4 Create Date
2008-02-05
3 Chemical and Physical Properties
Molecular Weight 383.5 g/mol
Molecular Formula C17H18KN3O3S
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass383.07059410 g/mol
Monoisotopic Mass383.07059410 g/mol
Topological Polar Surface Area81.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity459
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Anti-Ulcer Agents

Various agents with different action mechanisms used to treat or ameliorate PEPTIC ULCER or irritation of the gastrointestinal tract. This has included ANTIBIOTICS to treat HELICOBACTER INFECTIONS; HISTAMINE H2 ANTAGONISTS to reduce GASTRIC ACID secretion; and ANTACIDS for symptomatic relief. (See all compounds classified as Anti-Ulcer Agents.)


Proton Pump Inhibitors

Compounds that inhibit H(+)-K(+)-EXCHANGING ATPASE. They are used as ANTI-ULCER AGENTS and sometimes in place of HISTAMINE H2 ANTAGONISTS for GASTROESOPHAGEAL REFLUX. (See all compounds classified as Proton Pump Inhibitors.)


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