(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,26E)-2,15,17,29-Tetrahydroxy-26-{[Hydroxy(4-Methyl-1-Piperazinyl)Amino]Methylene}-11-Methoxy-3,7,12,14,16,18,22-Heptamethyl-6,23,27-Trioxo-8,30-Dioxa-24-Azatetra Cyclo[23.3.1.1^4,7.0^5,28]Triaconta-1(28),2,4,9,19,21,25(29)-Heptaen-13-Yl Acetate
[CAS# 51963-55-4]

Identification

• Name: (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,26E)-2,15,17,29-Tetrahydroxy-26-{[Hydroxy(4-Methyl-1-Piperazinyl)Amino]Methylene}-11-Methoxy-3,7,12,14,16,18,22-Heptamethyl-6,23,27-Trioxo-8,30-Dioxa-24-Azatetra Cyclo[23.3.1.1^4,7.0^5,28]Triaconta-1(28),2,4,9,19,21,25(29)-Heptaen-13-Yl Acetate
• Synonyms: Rifampicin N-oxide; Rifamycin, 3-(((4-methyl-1-piperazinyl)imino)methyl)-, N-oxide (VAN)
• Molecular Formula: C₄₃H₅₈N₄O₁₃
• Molecular Weight: 838.94
• CAS Registry Number: 51963-55-4
• SMILES: O=C/2c3c5C(=O)[C@]4(O/C=C/[C@H](OC)[C@H]([C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](/C=C\C=C(/C(=O)NC(/C\2=C\N(O)N1CCN(C)CC1)=C(\O)c3c(O)c(c5O4)C)C)C)C)C
• InChI: 1S/C43H58N4O13/c1-21-12-11-13-22(2)42(55)44-33-28(20-47(56)46-17-15-45(9)16-18-46)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,60-40)58-19-14-29(57-10)23(3)39(59-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-51,53,56H,15-18H2,1-10H3,(H,44,55)/b12-11+,19-14+,22-13+,28-20+/t21-,23-,24-,25-,29+,34+,35-,39-,43+/m1/s1
• InChIKey: KCQOVEKQXVJLSR-VPAZBZBPSA-N

Properties

• Density: 1.384g/cm³ (Cal.)