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Rabeprazole Sulfide

CAT: 0013-GTR19177821-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19177821-02Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Rabeprazole Sulfide, a metabolite and related compound of the antiulcer drug Rabeprazole, functions as a proton pump inhibitor. It is utilized in pharmacological research to study drug metabolism, enzyme kinetics, and the mechanisms of gastric acid suppression in both in vitro and in vivo experimental models.
CAS Number
117977-21-6
Product Name Alternative
Rabeprazole Related Compound E, Rabeprazole Sulfide, Rabeprazole, peptic, Protonpump, Proton pump, Proton Pump, metabolite, inhibit, H. pylori, Inhibitor, ATPase, Bacterial
Field of Research
Infectious Disease & Virology, Pharmacology & Drug Discovery
Purity
99.34% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (5.82 mM) ; DMSO:50 mg/mL (145.59 mM)
Smiles
S (CC1=C (C) C (OCCCOC) =CC=N1) C=2NC=3C (N2) =CC=CC3
Molecular Formula
C18H21N3O2S
Molecular Weight
343.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Rabeprazole-thioether

structure in first source

CAS Number117977-21-6
PubChem CID9949996
IUPAC Name2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfanyl]-1H-benzimidazole
Molecular FormulaC18H21N3O2S
Molecular Weight343.4
XLogP3.3
Topological Polar Surface Area85.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count24
Formal Charge0
Complexity374
SMILES
CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)OCCCOC
InChI
InChI=1S/C18H21N3O2S/c1-13-16(19-9-8-17(13)23-11-5-10-22-2)12-24-18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)
InChIKey
BSXAHDOWMOSVAP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Rabeprazole-thioether
CAS: 117977-21-6
CID: 9949996
Formula: C18H21N3O2S
MW: 343.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight343.4
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass343.13544809
Monoisotopic Mass343.13544809
Topological Polar Surface Area85.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity374
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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sc-476708Rabeprazole Sulfide N-Oxide
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