4-{2-[4-(3,10-Dibromo-8-Chloro-6,11-Dihydro-5H-Benzo[5,6]Cyclohepta[1,2-b]Pyridin-11-Yl)-1-Piperidinyl]-2-Oxoethyl}-1-Piperidinecarboxamide
[CAS# 193275-85-3]

Identification

• Name: 4-{2-[4-(3,10-Dibromo-8-Chloro-6,11-Dihydro-5H-Benzo[5,6]Cyclohepta[1,2-b]Pyridin-11-Yl)-1-Piperidinyl]-2-Oxoethyl}-1-Piperidinecarboxamide
• Synonyms: "4-[2-[4-[(11R)-3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[1,2]cyclohepta[2,4-b]pyridin-11-yl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide"; 1-PIPERIDINECARBOXAMIDE,4-[2-[4-[(11S)-3,10-DIBROMO-8-CHLORO-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-YL]-1-PIPERIDINYL]-2-OXOETHYL]-; 4-(2-(4-(8-Chloro-3,10-dibromo-6,11-dihydro-5H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-yl)-1-piperidinyl)-2-oxoethyl)-1-piperidinecarboxamide
• Molecular Formula: C₂₇H₃₁Br₂ClN₄O₂
• Molecular Weight: 638.82
• CAS Registry Number: 193275-85-3
• SMILES: O=C(N)N5CCC(CC(=O)N4CCC(C3c1c(Br)cc(Cl)cc1CCc2cc(Br)cnc23)CC4)CC5
• InChI: 1S/C27H31Br2ClN4O2/c28-20-12-19-2-1-18-13-21(30)14-22(29)24(18)25(26(19)32-15-20)17-5-9-33(10-6-17)23(35)11-16-3-7-34(8-4-16)27(31)36/h12-17,25H,1-11H2,(H2,31,36)
• InChIKey: DHMTURDWPRKSOA-UHFFFAOYSA-N

Properties

• Density: 1.537g/cm³ (Cal.)
• Boiling point: 710.432°C at 760 mmHg (Cal.)
• Flash point: 383.455°C (Cal.)
• Refractive index: 1.63 (Cal.)

References

• (1): Nguyen et al.. Analysis of the eukaryotic prenylome by isoprenoid affinity tagging, Nature Chemical Biology, 2009