4-O-[(N,N-Diisobutylcarbamoyl)Methyl]Rifamycin
[CAS# 16784-05-7]

Identification

• Name: 4-O-[(N,N-Diisobutylcarbamoyl)Methyl]Rifamycin
• Synonyms: Nsc146721; Rifamycin B Diisobutylamide; Rifamycin, 4-O-[2-[Bis(2-Methylpropyl)Amino]-2-Oxoethyl]-
• Molecular Formula: C₄₇H₆₆N₂O₁₃
• Molecular Weight: 867.04
• CAS Registry Number: 16784-05-7
• SMILES: C(N(CC(C)C)C(=O)COC1=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(C)C
• InChI: 1S/C47H66N2O13/c1-23(2)20-49(21-24(3)4)35(51)22-59-34-19-32-42(55)37-36(34)38-44(30(10)41(37)54)62-47(12,45(38)56)60-18-17-33(58-13)27(7)43(61-31(11)50)29(9)40(53)28(8)39(52)25(5)15-14-16-26(6)46(57)48-32/h14-19,23-25,27-29,33,39-40,43,52-55H,20-22H2,1-13H3,(H,48,57)/b15-14-,18-17-,26-16-
• InChIKey: MKESTUWPTLCKOK-DUPYHVKTSA-N

Properties

• Density: 1.262g/cm³ (Cal.)
• Boiling point: 945.004°C at 760 mmHg (Cal.)
• Flash point: 525.319°C (Cal.)