2,6-Dimethyl-4-benzyl-4-demethylrifampicin
[CAS# 55297-68-2]

Identification

• Name: 2,6-Dimethyl-4-benzyl-4-demethylrifampicin
• Synonyms: Aids009611; 2,6-Dimethyl-4-Benzyl-4-Demethylrifampicin; Af/Abdp,Cis-
• Molecular Formula: C₅₁H₆₆N₄O₁₂
• Molecular Weight: 927.10
• CAS Registry Number: 55297-68-2
• 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/NN5C(CN(CC5C)CC6=CC=CC=C6)C)\C)C)C
• InChI: 1S/C51H66N4O12/c1-26-16-15-17-27(2)50(63)53-41-36(22-52-55-28(3)23-54(24-29(55)4)25-35-18-13-12-14-19-35)45(60)38-39(46(41)61)44(59)33(8)48-40(38)49(62)51(10,67-48)65-21-20-37(64-11)30(5)47(66-34(9)56)32(7)43(58)31(6)42(26)57/h12-22,26,28-32,37,42-43,47,52,57-59,61H,23-25H2,1-11H3,(H,53,63)/b16-15+,21-20+,27-17-,36-22+/t26-,28?,29?,30+,31+,32+,37-,42-,43+,47+,51-/m0/s1
• InChIKey: GOITXXQFEBUZOL-PXDNDOGISA-N

Properties

• Boiling point: 1049.997°C at 760 mmHg (Cal.)
• Flash point: 588.817°C (Cal.)