2-[(4-methoxy-3-methyl-pyridin-2-yl)methylsulfinyl]-5-pyrrol-1-yl-3H-benzoimidazole

Base Information

• Chemical Name: 2-[(4-methoxy-3-methyl-pyridin-2-yl)methylsulfinyl]-5-pyrrol-1-yl-3H-benzoimidazole
• CAS No.: 172152-36-2
• Molecular Formula: C19H18N4O2S
• Molecular Weight: 366.4368
• UNII: 776Q6XX45J
• DSSTox Substance ID: DTXSID10870115
• Nikkaji Number: J1.440.670K
• Wikipedia: Ilaprazole
• Wikidata: Q15051261
• NCI Thesaurus Code: C65887
• Pharos Ligand ID: TFWV7ZF24PHK
• Metabolomics Workbench ID: 153036
• ChEMBL ID: CHEMBL2106370
• Mol file: 172152-36-2.mol

Synonyms:1H-Benzimidazole,2-[[(4-methoxy-3-methyl-2-pyridinyl)methyl]sulfinyl]-5-(1H-pyrrol-1-yl)- (9CI);IY 81149;Ilaprazole;

Chemical Property of 2-[(4-methoxy-3-methyl-pyridin-2-yl)methylsulfinyl]-5-pyrrol-1-yl-3H-benzoimidazole

Chemical Property:

• Vapor Pressure: 7.87E-17mmHg at 25°C
• Refractive Index: 1.71
• Boiling Point: 651 °C at 760 mmHg
• PKA: 8.23±0.10(Predicted)
• Flash Point: 347.5 °C
• PSA: 92.01000
• Density: 1.39 g/cm³
• LogP: 4.23910
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 366.11504700
• Heavy Atom Count: 26
• Complexity: 502

Purity/Quality:

99% ^*data from raw suppliers

Ilaprazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)N4C=CC=C4)OC
• Recent ClinicalTrials: Study to Evaluate Pharmacokinetic Drug Interactions and Safety of Naproxen, Aceclofenac, Celecoxib and Ilaprazole
• Uses: Ilaprazole is a proton pump inhibitor (PPI) used in the treatment of dyspepsia, peptic ulcer disease (PUD), gastroesophageal reflux disease (GORD/GERD) and duodenal ulcer.