Ethyl 4-(8-chloro-2-cyano-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate
[CAS# 860010-31-7]

Identification

• Name: Ethyl 4-(8-chloro-2-cyano-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate
• Synonyms: 2-Cyano Loratadine
• Molecular Formula: C₂₃H₂₂ClN₃O₂
• Molecular Weight: 407.89
• CAS Registry Number: 860010-31-7
• SMILES: CCOC(=O)N1CCC(=C2c3ccc(cc3CCc4c2nc(cc4)C#N)Cl)CC1
• InChI: 1S/C23H22ClN3O2/c1-2-29-23(28)27-11-9-15(10-12-27)21-20-8-6-18(24)13-17(20)4-3-16-5-7-19(14-25)26-22(16)21/h5-8,13H,2-4,9-12H2,1H3
• InChIKey: MOMAIAHEAGWRMW-UHFFFAOYSA-N

Properties

• Density: 1.33g/cm³ (Cal.)
• Boiling point: 578.63°C at 760 mmHg (Cal.)
• Flash point: 303.745°C (Cal.)
• Refractive index: 1.641 (Cal.)