API | fidaxomicin

fidaxomicin (dificid) Report issue

Small molecule Orphan Drug ^FDA Approved ^FDA Priority Review ^FDA

AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

1058.039

ALogP

Rule of 5

Rule of 3

Missing data

Details

SMILES: CC[C@H]1\C=C(C)\[C@@H](O)C\C=C\C=C(CO[C@@H]2O[C@H](C)[C@@H](OC(=O)C3=C(O)C(Cl)=C(O)C(Cl)=C3CC)[C@H](O)[C@@H]2OC)\C(=O)O[C@@H](C\C=C(C)\C=C(C)\[C@@H]1O[C@@H]4OC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@@H]4O)[C@@H](C)O
InChIKey: ZVGNESXIJDCBKN-UUEYKCAUSA-N
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
Chirality: Single Stereoisomer
Inorganic: No
Polymer: No

Sources

CHEMBL1255800 ChEMBL
fidaxomicin

CHEMBL445546 ChEMBL
lipiarmycin

Z5N076G8YQ NCATS
fidaxomicin *

Fidaxomicin Wikipedia

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