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Esomeprazole magnesium salt

CAT: 0013-GTR19155024-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155024-01Size:50 mg
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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
1198768-91-0
Field of Research
Pharmacology & Drug Discovery
Purity
>98%
Smiles
[Mg+2].COC1C=C2C (=CC=1) [N-]=C (N2) S (=O) CC3C (C) =C (OC) C (C) =CN=3
Molecular Formula
C17H18MgN3O3S+
Molecular Weight
368.7126
Notes
For research use only.

Chemical Information

Esomeprazole magnesium salt
CAS Number1198768-91-0
PubChem CID9820678
Molecular FormulaC17H19MgN3O3S
Molecular Weight369.7
Topological Polar Surface Area96.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity453
SMILES
CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C(N2)C=C(C=C3)OC.[Mg]
InChI
InChI=1S/C17H19N3O3S.Mg/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);/t24-;/m0./s1
InChIKey
MQEUGMWHWPYFDD-JIDHJSLPSA-N
Chemical Structure
2D Structure
2D structure of Esomeprazole magnesium salt
CAS: 1198768-91-0
CID: 9820678
Formula: C17H19MgN3O3S
MW: 369.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight369.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass369.0997543
Monoisotopic Mass369.0997543
Topological Polar Surface Area96.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity453
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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