4-O-[2-Oxo-2-(Phenylamino)Ethyl]Rifamycin
[CAS# 13929-39-0]

Identification

• Name: 4-O-[2-Oxo-2-(Phenylamino)Ethyl]Rifamycin
• Synonyms: 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-Phenyl-, 21-Acetate; Acetanilide, 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)-, 21-Acetate; Brn 5418668
• Molecular Formula: C₄₅H₅₄N₂O₁₃
• Molecular Weight: 830.93
• CAS Registry Number: 13929-39-0
• SMILES: C1=CC=CC=C1NC(COC2=C3C5=C(O)C(=C2)NC(=O)C(=C\C=C\C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C(OC)\C=C\OC4(C)OC(=C3C4=O)C(=C5O)C)C)/C)=O
• InChI: 1S/C45H54N2O13/c1-22-14-13-15-23(2)44(55)47-30-20-32(57-21-33(49)46-29-16-11-10-12-17-29)34-35(40(30)53)39(52)27(6)42-36(34)43(54)45(8,60-42)58-19-18-31(56-9)24(3)41(59-28(7)48)26(5)38(51)25(4)37(22)50/h10-20,22,24-26,31,37-38,41,50-53H,21H2,1-9H3,(H,46,49)(H,47,55)/b14-13+,19-18+,23-15-
• InChIKey: XWUFBLUKDLTJDE-COPYJFQCSA-N

Properties

• Density: 1.348g/cm³ (Cal.)
• Boiling point: 988.208°C at 760 mmHg (Cal.)
• Flash point: 551.448°C (Cal.)