Fidaxomicin Dimethoxy Impurity

CAS: 185248-68-4

Ref. TR-F335410

Product Information

• Name: Fidaxomicin Dimethoxy Impurity
• Synonyms: (3E,5E,8S,9E,11S,12R,13E,15E,18S)-3-[[[6-Deoxy-4-O-(3,5-dichloro-2-ethyl-4,6-dimethoxybenzoyl)-2-O-methyl-beta-D-mannopyranosyl]oxy]methyl]-12-[[6-deoxy-5-C-methyl-4-O-(2-methyl-1-oxopropyl)-beta-D-lyxo-hexopyranosyl]oxy]-11-ethyl-8-hydroxy-18-[(1R)-1-hydroxyethyl]-9,13,15-trimethyl-oxacyclooctadeca-3,5,9,13,15-pentaen-2-one, 3''',5'''-Di-O-methyltiacumicin B
• CAS: 185248-68-4

Description

Applications 3’’’,5’’’-Dideshydroxy-3’’’,5’’’-dimethoxy Fidaxomicin is a derivative of Fidaxomicin (F335400), a nonabsorbed macrocyclic antibiotic, and is also the first antimicrobial to be approved by the FDA for the treatment of Clostridium difficile infection (CDI) in 20 years.
References Babakhani, F., et al.: Clin. Infect. Dis., 55, S162 (2012); Venugopal, A., et al.: Clin. Infect. Dis., 54, 568 (2012)

• Brand: TRC

Chemical properties

• Molecular weight: 1086.09
• Formula: C₅₄H₇₈Cl₂O₁₈
• Color/Form: White to Off-White Solid
• InChI: InChI=1S/C54H78Cl2O18/c1-15-32-24-28(6)35(58)20-18-17-19-33(25-68-53-47(67-14)42(61)44(31(9)69-53)71-51(64)37-34(16-2)38(55)46(66-13)39(56)45(37)65-12)50(63)70-36(30(8)57)22-21-27(5)23-29(7)43(32)72-52-41(60)40(59)48(54(10,11)74-52)73-49(62)26(3)4/h17-19,21,23-24,26,30-32,35-36,40-44,47-48,52-53,57-61H,15-16,20,22,25H2,1-14H3/b18-17-,27-21+,28-24+,29-23-,33-19+/t30-,31-,32+,35-,36+,40-,41+,42+,43+,44-,47+,48+,52?,53-/m1/s1
• InChI key: InChIKey=VSQXOITUBILBJL-RTZOBUOVSA-N
• SMILES: CCc1c(Cl)c(OC)c(Cl)c(OC)c1C(=O)O[C@H]1[C@H](O)[C@H](OC)[C@H](OC/C2=C/C=C\C[C@@H](O)/C(C)=C\[C@H](CC)[C@@H](OC3OC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@@H]3O)/C(C)=C\C(C)=C/C[C@@H]([C@@H](C)O)OC2=O)O[C@@H]1C