4-O-[2-(Butylmethylamino)-2-oxoethyl]-Rifamycin
[CAS# 16784-08-0]

Identification

• Name: 4-O-[2-(Butylmethylamino)-2-oxoethyl]-Rifamycin
• Synonyms: Acetamide, N-Butyl-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-Methyl-, 21-Acetate; Brn 5418460; N-Butyl-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-Methylacetamide 21-Acetate
• Molecular Formula: C₄₄H₆₀N₂O₁₃
• Molecular Weight: 824.96
• CAS Registry Number: 16784-08-0
• SMILES: C(C)CCN(C)C(=O)COC1=C2C4=C(C(=C1)NC(=O)C(=C\C=C\C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(OC)\C=C\OC3(C)OC(=C2C3=O)C(=C4O)C)/C)O
• InChI: 1S/C44H60N2O13/c1-12-13-18-46(10)32(48)21-56-31-20-29-39(52)34-33(31)35-41(27(7)38(34)51)59-44(9,42(35)53)57-19-17-30(55-11)24(4)40(58-28(8)47)26(6)37(50)25(5)36(49)22(2)15-14-16-23(3)43(54)45-29/h14-17,19-20,22,24-26,30,36-37,40,49-52H,12-13,18,21H2,1-11H3,(H,45,54)/b15-14+,19-17+,23-16-
• InChIKey: LSGIOAFJQJEMMO-NGNCQUAGSA-N

Properties

• Density: 1.294g/cm³ (Cal.)
• Boiling point: 933.409°C at 760 mmHg (Cal.)
• Flash point: 518.307°C (Cal.)