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Rabeprazole

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Description
Rabeprazole (LY307640) is an H+/K+-ATPase inhibitor that inhibits cell proliferation in gastric epithelial cells by targeting STAT3-mediated glycolysis and can be used in the study of gastric ulcers.
CAS Number
117976-89-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
359.44
Molecular Formula
C18H21N3O3S
Notes
Research use only, not for human use.
Receptor
Potassium Channel | STAT

Chemical Information

Rabeprazole

Rabeprazole is a sulfoxide, a member of benzimidazoles and a member of pyridines. It has a role as an EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor and an anti-ulcer drug. It is a conjugate acid of a rabeprazole(1-).

CAS Number117976-89-3
PubChem CID5029
IUPAC Name2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
Molecular FormulaC18H21N3O3S
Molecular Weight359.4
XLogP1.9
Topological Polar Surface Area96.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count25
Formal Charge0
Complexity440
SMILES
CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCCCOC
InChI
InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)
InChIKey
YREYEVIYCVEVJK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Rabeprazole
CAS: 117976-89-3
CID: 5029
Formula: C18H21N3O3S
MW: 359.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight359.4
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass359.13036271
Monoisotopic Mass359.13036271
Topological Polar Surface Area96.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity440
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