9-(1H-Benzimidazol-2-Ylsulfinyl)-4-Methoxy-6,7,8,9-Tetrahydro-5H-Cyclohepta[b]Pyridine
[CAS# 156601-79-5]

Identification

• Name: 9-(1H-Benzimidazol-2-Ylsulfinyl)-4-Methoxy-6,7,8,9-Tetrahydro-5H-Cyclohepta[b]Pyridine
• Synonyms: Nepaprazole [Inn]; (- )-(9R*)-9-((Ss*)-2-Benzimidazolylsulfinyl)-6,7,8,9-Tetrahydro-4-Methoxy-5H-Cyclohepta(B)Pyridine.; Nepaprazole
• Molecular Formula: C₁₈H₁₉N₃O₂S
• Molecular Weight: 341.43
• CAS Registry Number: 156601-79-5
• SMILES: C1=NC2=C(C(=C1)OC)CCCCC2[S](C3=NC4=C([NH]3)C=CC=C4)=O
• InChI: 1S/C18H19N3O2S/c1-23-15-10-11-19-17-12(15)6-2-5-9-16(17)24(22)18-20-13-7-3-4-8-14(13)21-18/h3-4,7-8,10-11,16H,2,5-6,9H2,1H3,(H,20,21)
• InChIKey: JWMQOWBYKLZSPY-UHFFFAOYSA-N

Properties

• Density: 1.395g/cm³ (Cal.)
• Boiling point: 626.415°C at 760 mmHg (Cal.)
• Flash point: 332.644°C (Cal.)