Phenylrifampin
[CAS# 33036-09-8]

Identification

• Name: Phenylrifampin
• Synonyms: Rifamycin, 3-[[[4-(Phenylmethyl)-1-Piperazinyl]Imino]Methyl]-; Aids-014395; Aids014395
• Molecular Formula: C₄₉H₆₂N₄O₁₂
• Molecular Weight: 899.05
• CAS Registry Number: 33036-09-8
• 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]([C@H]1OC(=O)C)C)(C2=O)C)C(=C3O)C)C(=O)\C4=C\NN5CCN(CC5)CC6=CC=CC=C6)\C)C)C
• InChI: 1S/C49H62N4O12/c1-26-14-13-15-27(2)48(61)51-39-34(24-50-53-21-19-52(20-22-53)25-33-16-11-10-12-17-33)43(58)36-37(44(39)59)42(57)31(6)46-38(36)47(60)49(8,65-46)63-23-18-35(62-9)28(3)45(64-32(7)54)30(5)41(56)29(4)40(26)55/h10-18,23-24,26,28-30,35,40-41,45,50,55-57,59H,19-22,25H2,1-9H3,(H,51,61)/b14-13+,23-18+,27-15-,34-24+/t26-,28+,29+,30+,35-,40-,41+,45+,49-/m0/s1
• InChIKey: ZFKIKNKAWFXLMY-RYIDOMIXSA-N