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Levolansoprazole

CAT: 0931-T20714-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T20714-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
138530-95-7
Target
Proton pump, Phospholipase, Antibacterial
Related Pathways
Microbiology/Virology, Metabolism, Membrane transporter/Ion channel
Purity
0.98629
Bioactivity
Levolansoprazole ((S) -Lansoprazole), a proton pump inhibitor, irreversibly inhibits H+/K+-stimulated ATPase pumps in parietal cells (IC50: 5.2 μM) . It also inhibits acid formation in isolated canine parietal cells (IC50: 82 μM) . Both (R) - and (S) -lansoprazole are pharmacologically active with similar potencies.
Smiles
S(CC1=C(C)C(OCC(F)(F)F)=CC=N1)(=O)C=2NC=3C(N2)=CC=CC3
Molecular Formula
C16H14F3N3O2S
Molecular Weight
369.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Levolansoprazole

Levolansoprazole is a small molecule drug. The usage of the INN stem '-prazole' in the name indicates that Levolansoprazole is a benzimidazole derivative antiulcer medication. Levolansoprazole has a monoisotopic molecular weight of 369.08 Da.

CAS Number138530-95-7
PubChem CID9578006
IUPAC Name2-[(S)-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
Molecular FormulaC16H14F3N3O2S
Molecular Weight369.4
XLogP2.8
Topological Polar Surface Area87.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity480
SMILES
CC1=C(C=CN=C1C[S@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F
InChI
InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)/t25-/m0/s1
InChIKey
MJIHNNLFOKEZEW-VWLOTQADSA-N
Chemical Structure
2D Structure
2D structure of Levolansoprazole
CAS: 138530-95-7
CID: 9578006
Formula: C16H14F3N3O2S
MW: 369.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight369.4
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass369.07588236
Monoisotopic Mass369.07588236
Topological Polar Surface Area87.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity480
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19156188-01Levolansoprazole

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