4-Amino-5-chloro-N-{(3S,4R)-1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl}-2-methoxybenzamide
[CAS# 86718-70-9]

Identification

• Name: 4-Amino-5-chloro-N-{(3S,4R)-1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl}-2-methoxybenzamide
• Synonyms: (+)-(R)-Cisapride; [81098-60-4]
• Molecular Formula: C₂₃H₂₉ClFN₃O₄
• Molecular Weight: 465.95
• CAS Registry Number: 86718-70-9
• SMILES: CO[C@H]1CN(CC[C@H]1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCOC3=CC=C(C=C3)F
• InChI: 1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)/t20-,22+/m1/s1
• InChIKey: DCSUBABJRXZOMT-IRLDBZIGSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 605.4±55.0°C at 760 mmHg (Cal.)
• Flash point: 319.9±31.5°C (Cal.)
• solubility: Soluble to 100 mM in DMSO

References

• (1): Min Jung Kim, Su Chul Lee, Sukdeb Pal, Eunyoung Han and Joon Myong Song. High-content screening of drug-induced cardiotoxicity using quantitative single cell imaging cytometry on microfluidic device, Lab Chip, 2011, 11, 104.