4-O-[2-(Dipropylamino)-2-Oxoethyl]Rifamycin
[CAS 16784-03-5]

Identification

• Name: 4-O-[2-(Dipropylamino)-2-Oxoethyl]Rifamycin
• Synonyms: Rifamycin, 4-O-(2-(Dipropylamino)-2-Oxoethyl)- (9Ci); Acetamide, 2-((1,2-Dihydro-5,6,17,19,21-Pentahydroxy-23-Methoxy-2,4,12,16,18,20,22-Heptamethyl-1,11-Dioxo-2,7-(Epoxypentadeca(1,11,13)Trienimino)Naphtho(2,1-B)Furan-9-Yl)Oxy)-N,N-Dipropyl-, 21-Acetate; Brn 5418497
• Molecular Formula: C₄₅H₆₂N₂O₁₃
• Molecular Weight: 838.99
• CAS Registry Number: 16784-03-5
• 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)N(C(C)C)C(C)C
• InChI: 1S/C45H62N2O13/c1-21(2)47(22(3)4)33(49)20-57-32-19-30-40(53)35-34(32)36-42(28(10)39(35)52)60-45(12,43(36)54)58-18-17-31(56-13)25(7)41(59-29(11)48)27(9)38(51)26(8)37(50)23(5)15-14-16-24(6)44(55)46-30/h14-19,21-23,25-27,31,37-38,41,50-53H,20H2,1-13H3,(H,46,55)/b15-14+,18-17+,24-16-
• InChIKey: QHVUVGMQPCPTDZ-XRTMZYDASA-N

Properties

• Density: 1.281g/cm³ (Cal.)
• Boiling point: 932.483°C at 760 mmHg (Cal.)
• Flash point: 517.747°C (Cal.)