25-Desacetyl Rifapentine
[CAS# 79039-56-8]

Identification

• Name: 25-Desacetyl Rifapentine
• Synonyms: Aids-007704; Aids007704; Mdl 27,718
• Molecular Formula: C₄₅H₆₂N₄O₁₁
• Molecular Weight: 835.01
• CAS Registry Number: 79039-56-8
• SMILES: [C@H]4([C@H](O)[C@@H]([C@@H](O)[C@@H](C)\C=C\C=C(C(=O)NC1=C(O)C6=C(C(=O)/C1=C/NN3CCN(C2CCCC2)CC3)C5=C(O[C@](O/C=C/[C@H](OC)[C@H]([C@H]4O)C)(C5=O)C)C(=C6O)C)\C)C)C
• InChI: 1S/C45H62N4O11/c1-23-12-11-13-24(2)44(57)47-35-30(22-46-49-19-17-48(18-20-49)29-14-9-10-15-29)40(54)32-33(41(35)55)39(53)28(6)42-34(32)43(56)45(7,60-42)59-21-16-31(58-8)25(3)37(51)27(5)38(52)26(4)36(23)50/h11-13,16,21-23,25-27,29,31,36-38,46,50-53,55H,9-10,14-15,17-20H2,1-8H3,(H,47,57)/b12-11+,21-16+,24-13-,30-22+/t23-,25+,26+,27-,31-,36-,37+,38+,45-/m0/s1
• InChIKey: JHANSSSOQIRYCV-AZRAEVFESA-N

Properties

• Density: 1.35g/cm³ (Cal.)