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Omeprazole

CAT: 0013-GTR19161615-04Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19161615-04Size:200 mg
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Description
Omeprazole is a proton pump inhibitor, used to treat dyspepsia, peptic ulcer disease, gastroesophageal reflux disease, laryngopharyngeal reflux, and Zollinger–Ellison syndrome.
CAS Number
73590-58-6
Product Name Alternative
OMEP | OMP | OMZ
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
Ethanol: 13 mg/mL (37.63 mM) ; DMSO: 69 mg/mL (199.75 mM)
Smiles
COC1=CC2=C (C=C1) N=C (N2) S (=O) CC1=NC=C (C) C (OC) =C1C
Molecular Formula
C17H19N3O3S
Molecular Weight
345.42
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Omeprazole

6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole is a sulfoxide and a member of benzimidazoles.

CAS Number73590-58-6
PubChem CID4594
IUPAC Name6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
Molecular FormulaC17H19N3O3S
Molecular Weight345.4
XLogP2.2
Topological Polar Surface Area96.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity453
SMILES
CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC
InChI
InChI=1S/C17H19N3O3S/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,(H,19,20)
InChIKey
SUBDBMMJDZJVOS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Omeprazole
CAS: 73590-58-6
CID: 4594
Formula: C17H19N3O3S
MW: 345.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight345.4
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass345.11471265
Monoisotopic Mass345.11471265
Topological Polar Surface Area96.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity453
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BUP08454-01Omeprazole metabolite Omeprazole sulfone
A2845-5Omeprazole

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