Sibopirdine monohydrate
[CAS# 139781-09-2]

Identification

• Name: Sibopirdine monohydrate
• Synonyms: 5,5-Bis(4-Pyridinylmethyl)-5H-Cyclopenta(2,1-B:3,4-B')Dipyridine Monohydrate; 5H-Cyclopenta(2,1-B:3,4-B')Dipyridine, 5,5-Bis(4-Pyridinylmethyl)-, Monohydrate; Dup 921
• Molecular Formula: C₂₃H₂₀N₄O
• Molecular Weight: 368.44
• CAS Registry Number: 139781-09-2
• SMILES: C1=CC=NC2=C1C(C3=C2N=CC=C3)(CC4=CC=NC=C4)CC5=CN=CC=C5.O
• InChI: 1S/C23H18N4.H2O/c1-4-18(16-25-9-1)15-23(14-17-7-12-24-13-8-17)19-5-2-10-26-21(19)22-20(23)6-3-11-27-22;/h1-13,16H,14-15H2;1H2
• InChIKey: MEUYPJOAXXXAES-UHFFFAOYSA-N

Properties

• Boiling point: 589.9°C at 760 mmHg (Cal.)
• Flash point: 264.7°C (Cal.)