(1S,13bS)-10-Bromo-1,2,7,8,13,13b-hexahydro[1,6,2]oxathiazepino[2',3':1,2]pyrido[3,4-b]indol-1-amine
[CAS 88704-55-6]

Identification

• Name: (1S,13bS)-10-Bromo-1,2,7,8,13,13b-hexahydro[1,6,2]oxathiazepino[2',3':1,2]pyrido[3,4-b]indol-1-amine
• Molecular Formula: C₁₄H₁₆BrN₃OS
• Molecular Weight: 354.27
• CAS Registry Number: 88704-55-6
• SMILES: N[C@@H]4CSCON3CCc1c(nc2ccc(Br)cc12)[C@@H]34
• InChI: 1S/C14H16BrN3OS/c15-8-1-2-12-10(5-8)9-3-4-18-14(13(9)17-12)11(16)6-20-7-19-18/h1-2,5,11,14,17H,3-4,6-7,16H2/t11-,14+/m1/s1
• InChIKey: INCNNKYUDFBEIB-RISCZKNCSA-N

Properties

• Density: 1.699g/cm³ (Cal.)
• Boiling point: 541.89°C at 760 mmHg (Cal.)
• Flash point: 281.525°C (Cal.)