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2D Structure
Also known as: Omeprazole magnesium, 95382-33-5, Magnesium;6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1h-benzimidazole
Molecular Formula
C34H38MgN6O6S2+2
Molecular Weight
715.1  g/mol
InChI Key
ZAUIQBMEUIXDRJ-UHFFFAOYSA-N

A 4-methoxy-3,5-dimethylpyridyl, 5-methoxybenzimidazole derivative of timoprazole that is used in the therapy of STOMACH ULCERS and ZOLLINGER-ELLISON SYNDROME. The drug inhibits an H(+)-K(+)-EXCHANGING ATPASE which is found in GASTRIC PARIETAL CELLS.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
magnesium;6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole
2.1.2 InChI
InChI=1S/2C17H19N3O3S.Mg/c2*1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;/h2*5-8H,9H2,1-4H3,(H,19,20);/q;;+2
2.1.3 InChI Key
ZAUIQBMEUIXDRJ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC.CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC.[Mg+2]
2.2 Synonyms
2.2.1 MeSH Synonyms

1. H 168 68

2. H 168-68

3. H 16868

4. Magnesium, Omeprazole

5. Omeprazole

6. Omeprazole Magnesium

7. Omeprazole Sodium

8. Prilosec

9. Sodium, Omeprazole

2.2.2 Depositor-Supplied Synonyms

1. Omeprazole Magnesium

2. 95382-33-5

3. Magnesium;6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1h-benzimidazole

2.3 Create Date
2005-08-09
3 Chemical and Physical Properties
Molecular Weight 715.1 g/mol
Molecular Formula C34H38MgN6O6S2+2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Exact Mass714.2144670 g/mol
Monoisotopic Mass714.2144670 g/mol
Topological Polar Surface Area193 Ų
Heavy Atom Count49
Formal Charge2
Complexity453
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3
4 Drug and Medication Information
4.1 Drug Information
1 of 2  
Drug NameOmeprazole magnesium
Drug Label11 DESCRIPTIONThe active ingredient in PRILOSEC (omeprazole) Delayed-Release Capsules is a substituted benzimidazole, 5-methoxy-2-[[(4-methoxy-3, 5-dimethyl-2-pyridinyl) methyl] sulfinyl]-1H-benzimidazole, a compound that inhibits gastric acid secret...
Active IngredientOmeprazole magnesium
Dosage FormCapsule, delayed release
RouteOral
Strengtheq 20mg base
Market StatusOver the Counter
CompanyDr Reddys Labs

2 of 2  
Drug NameOmeprazole magnesium
Drug Label11 DESCRIPTIONThe active ingredient in PRILOSEC (omeprazole) Delayed-Release Capsules is a substituted benzimidazole, 5-methoxy-2-[[(4-methoxy-3, 5-dimethyl-2-pyridinyl) methyl] sulfinyl]-1H-benzimidazole, a compound that inhibits gastric acid secret...
Active IngredientOmeprazole magnesium
Dosage FormCapsule, delayed release
RouteOral
Strengtheq 20mg base
Market StatusOver the Counter
CompanyDr Reddys Labs

5 Pharmacology and Biochemistry
5.1 MeSH Pharmacological Classification

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.)


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.)


5.2 FDA Pharmacological Classification
5.2.1 Pharmacological Classes
Proton Pump Inhibitor [EPC]; Proton Pump Inhibitors [MoA]; Cytochrome P450 2C19 Inhibitors [MoA]