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Fidaxomicin

Chemical Name Fidaxomicin
CAT No. CS-O-30824
CAS Registry# 873857-62-6
Status Prompt Dispatch
Category API Standards
Mol. Wt. 1058.04 g/mol
Mol. For. C₅₂H₇₄Cl₂O₁₈
Hazardous This is a Hazardous Compound
COA View Sample COA

Additional Information


Controlled No
Parent API Fidaxomicin
Purity Not less than 95%
Therapeutic Antibiotics
Smileys O=C(C(C(O)=C(Cl)C(O)=C1Cl)=C1CC)O[C@H]([C@H](O[C@H]2OC/C(C(O[C@](C/C=C3C)([H])[C@H](O)C)=O)=C\C=C\C[C@](/C(C)=C\[C@H](CC)[C@@H](O[C@@](OC(C)(C)[C@@H](OC(C(C)C)=O)[C@@H]4O)([H])[C@H]4O)\C(C)=C/3)([H])O)C)[C@@H]([C@@H]2OC)O
Canonical Smiles CCC1C=C(C(CC=CC=C(C(=O)OC(CC=C(C=C(C1OC2C(C(C(C(O2)(C)C)OC(=O)C(C)C)O)O)C)C)C(C)O)COC3C(C(C(C(O3)C)OC(=O)C4=C(C(=C(C(=C4O)Cl)O)Cl)CC)O)OC)O)C
InchIKey ZVGNESXIJDCBKN-UUEYKCAUSA-N
Inchl InChI=1S/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-51-45(65-12)42(61)44(29(9)67-51)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)43(30)70-50-41(60)40(59)46(52(10,11)72-50)71-47(62)24(3)4/h15-17,19,21-22,24,28-30,33-34,40-46,50-51,55-61H,13-14,18,20,23H2,1-12H3/b16-15+,25-19+,26-22+,27-21+,31-17+/t28-,29-,30+,33+,34+,40-,41+,42+,43+,44-,45+,46+,50-,51-/m1/s1
IUPAC [(2R,3S,4S,5S,6R)-6-[[(3E,5E,8S,9E,11S,12R,13E,15E,18S)-12-[(2R,3S,4R,5S)-3,4-dihydroxy-6,6-dimethyl-5-(2-methylpropanoyloxy)oxan-2-yl]oxy-11-ethyl-8-hydroxy-18-[(1R)-1-hydroxyethyl]-9,13,15-trimethyl-2-oxo-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy]-4-hydroxy-5-methoxy-2-methyloxan-3-yl] 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate
Hazardous Yes


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