(1S,13bS)-1-Amino-9-bromo-1,2,7,8,13,13b-hexahydro[1,6,2]oxathiazepino[2',3':1,2]pyrido[3,4-b]indol-10-ol
[CAS# 88704-51-2]

Identification

• Name: (1S,13bS)-1-Amino-9-bromo-1,2,7,8,13,13b-hexahydro[1,6,2]oxathiazepino[2',3':1,2]pyrido[3,4-b]indol-10-ol
• Synonyms: (1,6,2)Oxathiazepino(2',3':1,2)pyrido(3,4-b)indol-10-ol, 1-amino-9-bromo-1,2,7,8,13,13b-hexahydro-, (1S-trans)-; (1s,13bs)-1-amino-9-bromo-1,2,7,8,13,13b-hexahydro[1,6,2]oxathiazepino[2',3':1,2]pyrido[3,4-b]indol-10-ol
• Molecular Formula: C₁₄H₁₆BrN₃O₂S
• Molecular Weight: 370.26
• CAS Registry Number: 88704-51-2
• SMILES: C1CN2[C@@H]([C@@H](CSCO2)N)C3=C1C4=C(N3)C=CC(=C4Br)O
• InChI: 1S/C14H16BrN3O2S/c15-12-10(19)2-1-9-11(12)7-3-4-18-14(13(7)17-9)8(16)5-21-6-20-18/h1-2,8,14,17,19H,3-6,16H2/t8-,14+/m1/s1
• InChIKey: CWYSYORNQMPRTH-CLAHSXSESA-N

Properties

• Density: 1.8±0.1g/cm³ (Cal.)
• Boiling point: 566.2±60.0°C at 760 mmHg (Cal.)
• Flash point: 296.2±32.9°C (Cal.)