CAS: 873857-62-6 | Fidaxomicin, NX65403
SKU: NX65403-25MG
Product Identifiers
| Catalog # | NX65403 |
| CAS Number | 873857-62-6 |
| PubChem CID | 155882766 |
| Chemical Name | Fidaxomicin |
| IUPAC Name | [6-[[(3E,5E,9E,13E,15E)-11-ethyl-8-hydroxy-12-[3-hydroxy-6,6-dimethyl-5-(2-methylpropanoyloxy)oxan-2-yl]oxy-18-(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 |
| Synonym | [rac-(2R,3S,4S,5S,6R)-4-Hydroxy-5-methoxy-2-methyl-6-[[rac-(3E,5E,8S,9E,11S,12R,13E,15E,18S)-11-ethyl-8-hydroxy-9,13,15-trimethyl-2-oxo-12-[rac-(2R,3S,4R,5S)-3,4-dihydroxy-6,6-dimethyl-5-(2-methylpropanoyloxy)oxan-2-yl]oxy-18-[rac-(1R)-1-hydroxyethyl]-1-oacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy]oxan-3-yl] 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate |
| InChI | InChI=1S/C52H74Cl2O17/c1-13-31-22-27(6)34(56)18-16-15-17-32(24-65-51-46(64-12)43(60)45(30(9)66-51)69-49(63)38-33(14-2)39(53)42(59)40(54)41(38)58)48(62)67-36(29(8)55)20-19-26(5)21-28(7)44(31)70-50-35(57)23-37(52(10,11)71-50)68-47(61)25(3)4/h15-17,19,21-22,25,29-31,34-37,43-46,50-51,55-60H,13-14,18,20,23-24H2,1-12H3/b16-15+,26-19+,27-22+,28-21+,32-17+ |
| InChIKey | DWOIPNWDVPBQIP-FIAGXOTCSA-N |
| SMILES | CCC1\C=C(/C)\C(O)C\C=C\C=C(/COC2OC(C)C(OC(=O)c3c(O)c(Cl)c(O)c(Cl)c3CC)C(O)C2OC)\C(=O)OC(C\C=C(/C)\C=C(/C)\C1OC4OC(C)(C)C(CC4O)OC(=O)C(C)C)C(C)O |
| MDL Number | MFCD27976367 |
Specification
| MW | 1042 |
| MF | C52H74Cl2O17 |
| Cat Number | BIW4203 |
| Manufacturer | Apollo Scientific |
| Country of Origin | United Kingdom |
