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Esomeprazole potassium salt

CAT: 1410-M12369-01Size: 1 EachDry Ice: NoHazardous: No
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Description
A proton pump inhibitor that reduces stomach acid secretion by inhibition of the H+/K+-ATPase in the parietal cells.
CAS Number
161796-84-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
383.5064
Molecular Formula
C17H18KN3O3S
Notes
Research use only, not for human use.
Receptor
Proton Pump

Chemical Information

Esomeprazole Potassium

See also: Esomeprazole (broader); Esomeprazole Magnesium (related); Esomeprazole Sodium (related) ... View More ...

CAS Number161796-84-5
PubChem CID23672364
IUPAC Namepotassium 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-ide
Molecular FormulaC17H18KN3O3S
Molecular Weight383.5
Topological Polar Surface Area81.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity459
SMILES
CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C([N-]2)C=CC(=C3)OC.[K+]
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
InChIKey
FOFFPEFVSRGLOZ-JIDHJSLPSA-N
Chemical Structure
2D Structure
2D structure of Esomeprazole Potassium
CAS: 161796-84-5
CID: 23672364
Formula: C17H18KN3O3S
MW: 383.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass383.07059410
Monoisotopic Mass383.07059410
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
Compound Is CanonicalizedYes

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T61667-01Esomeprazole potassium salt
HY-17021BEsomeprazole (potassium salt)
RM-E151380-01Esomeprazole Potassium
HY-17021S2Esomeprazole-d3 (potassium)
CS-BU-00010Esomeprazole-d3 potassium
HY-17021AEsomeprazole (magnesium salt)
T61467-01Esomeprazole magnesium salt
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TMIJ-0301-01Esomeprazole-d3 Sodium Salt
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