4-(8-Chloro-5,6-Dihydro-11H-Benzo(5,6)Cyclohepta(1,2-b)Pyridin-11-Ylidene)-1-Piperidinecarboxylic Acid Ethyl Ester Mixt. With (S-(R*,R*))-alpha-(1-(Methylamino)Ethyl)Benzenemethanol
[CAS# 132316-36-0]

Identification

• Name: 4-(8-Chloro-5,6-Dihydro-11H-Benzo(5,6)Cyclohepta(1,2-b)Pyridin-11-Ylidene)-1-Piperidinecarboxylic Acid Ethyl Ester Mixt. With (S-(R*,R*))-alpha-(1-(Methylamino)Ethyl)Benzenemethanol
• Synonyms: Sch 434; Sch-434
• Molecular Formula: C₃₂H₃₈ClN₃O₃
• Molecular Weight: 548.12
• CAS Registry Number: 132316-36-0
• SMILES: [C@H](O)(C1=CC=CC=C1)[C@@H](NC)C.C2=CC(=CC3=C2C(C4=C(CC3)C=CC=N4)=C5CCN(CC5)C(OCC)=O)Cl
• InChI: 1S/C22H23ClN2O2.C10H15NO/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20;1-8(11-2)10(12)9-6-4-3-5-7-9/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3;3-8,10-12H,1-2H3/t;8-,10+/m.0/s1
• InChIKey: ZQBWEJQBVWJHRY-PXRPMCEGSA-N

Properties

• Boiling point: 531.3°C at 760 mmHg (Cal.)
• Flash point: 275.1°C (Cal.)