N-Demethyl Rifampin
[CAS# 13292-45-0]

Identification

• Name: N-Demethyl Rifampin
• Synonyms: Nsc143416; Rifampicin, D-Methyl; Rifamycin, 3-[(1-Piperazinylimino)Methyl]-
• Molecular Formula: C₄₂H₅₆N₄O₁₂
• Molecular Weight: 808.92
• CAS Registry Number: 13292-45-0
• SMILES: [C@H]1([C@H](O)[C@@H]([C@@H](O)[C@@H](C)\C=C\C=C(C(=O)NC4=C(O)C3=C(C2=C(O[C@](O/C=C/[C@H](OC)[C@H](C1OC(=O)C)C)(C2=O)C)C(=C3O)C)C(=O)\C4=C\NN5CCNCC5)\C)C)C
• InChI: 1S/C42H56N4O12/c1-20-11-10-12-21(2)41(54)45-32-27(19-44-46-16-14-43-15-17-46)36(51)29-30(37(32)52)35(50)25(6)39-31(29)40(53)42(8,58-39)56-18-13-28(55-9)22(3)38(57-26(7)47)24(5)34(49)23(4)33(20)48/h10-13,18-20,22-24,28,33-34,38,43-44,48-50,52H,14-17H2,1-9H3,(H,45,54)/b11-10+,18-13+,21-12-,27-19+/t20-,22+,23+,24+,28-,33-,34+,38?,42-/m0/s1
• InChIKey: VGEBLZDDRJDVDP-RRKRAGSPSA-N