4-amino-N-[(1S,4R,5S)-1-azabicyclo[3.3.1]nonan-4-yl]-5-chloro-2-methoxy-benzamide
[CAS# 88721-77-1]

Identification

• Name: 4-amino-N-[(1S,4R,5S)-1-azabicyclo[3.3.1]nonan-4-yl]-5-chloro-2-methoxy-benzamide
• Synonyms: renzapride
• Molecular Formula: C₁₆H₂₂ClN₃O₂
• Molecular Weight: 323.82
• CAS Registry Number: 88721-77-1
• SMILES: COC1=CC(=C(C=C1C(=O)N[C@@H]2CC[N@@]3CCC[C@H]2C3)Cl)N
• InChI: 1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-14-4-6-20-5-2-3-10(14)9-20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)/t10-,14+/m0/s1
• InChIKey: GZSKEXSLDPEFPT-IINYFYTJSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 469.2±45.0°C at 760 mmHg (Cal.)
• Flash point: 237.6±28.7°C (Cal.)