4-O-[2-(Dimethylamino)-2-Oxoethyl]Rifamycin
[CAS# 17607-33-9]

Identification

• Name: 4-O-[2-(Dimethylamino)-2-Oxoethyl]Rifamycin
• Synonyms: Aids160049; Acetamide, 2-[[(14E)-21-(Acetyloxy)-1,2-Dihydro-5,6,17,19-Tetrahydroxy-23-Methoxy-2,4,12,16,18,20,22-Heptamethyl-1,11-Dioxo-2,7-(Epoxy[1,11,13]Pentadecatrienoimino)Naphtho[2,1-B]Furan-9-Yl]Oxy]-N,N-Dimethyl-; 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-Dimethyl-, 21-Acetate
• Molecular Formula: C₄₁H₅₄N₂O₁₃
• Molecular Weight: 782.88
• CAS Registry Number: 17607-33-9
• SMILES: C(OC3=CC1=C(O)C4=C(O)C(=C2OC(O\C=C\C(OC)C(C(OC(=O)C)C(C(O)C(C(O)C(\C=C\C=C(C(=O)N1)/C)C)C)C)C)(C(=O)C2=C34)C)C)C(=O)N(C)C
• InChI: 1S/C41H54N2O13/c1-19-13-12-14-20(2)40(51)42-26-17-28(53-18-29(45)43(9)10)30-31(36(26)49)35(48)24(6)38-32(30)39(50)41(8,56-38)54-16-15-27(52-11)21(3)37(55-25(7)44)23(5)34(47)22(4)33(19)46/h12-17,19,21-23,27,33-34,37,46-49H,18H2,1-11H3,(H,42,51)/b13-12+,16-15+,20-14+
• InChIKey: VRPOMUTWCLUKGH-VATGUWRCSA-N

Properties

• Density: 1.328g/cm³ (Cal.)
• Boiling point: 915.597°C at 760 mmHg (Cal.)
• Flash point: 507.535°C (Cal.)