4-O-[2-(Hexahydro-1H-Azepin-1-Yl)-2-Oxoethyl]Rifamycin
[CAS# 13929-37-8]

Identification

• Name: 4-O-[2-(Hexahydro-1H-Azepin-1-Yl)-2-Oxoethyl]Rifamycin
• Synonyms: Nsc143440; Rifamycin B Azepinide; Rifamycin, 4-O-[2-(Hexahydro-1H-Azepin-1-Yl)-2-Oxoethyl]-
• Molecular Formula: C₄₅H₆₀N₂O₁₃
• Molecular Weight: 836.97
• CAS Registry Number: 13929-37-8
• SMILES: C(OC1=C2C4=C3OC(O/C=C/C(OC)C(C(OC(=O)C)C(C(O)C(C(O)C(C)\C=C\C=C(C(=O)NC(=C1)C(=C2C(=C3C)O)O)\C)C)C)C)(C4=O)C)C(=O)N5CCCCCC5
• InChI: 1S/C45H60N2O13/c1-23-15-14-16-24(2)44(55)46-30-21-32(57-22-33(49)47-18-12-10-11-13-19-47)34-35(40(30)53)39(52)28(6)42-36(34)43(54)45(8,60-42)58-20-17-31(56-9)25(3)41(59-29(7)48)27(5)38(51)26(4)37(23)50/h14-17,20-21,23,25-27,31,37-38,41,50-53H,10-13,18-19,22H2,1-9H3,(H,46,55)/b15-14+,20-17+,24-16-
• InChIKey: SQWTVQLBBWXVTK-XYRCNNSGSA-N

Properties

• Density: 1.318g/cm³ (Cal.)
• Boiling point: 965.179°C at 760 mmHg (Cal.)
• Flash point: 537.521°C (Cal.)