| Description |
One of the isotope labelled metabolite of Fidaxomicin. Fidaxomicin is a natural macrocyclic antibiotic that inhibits RNA polymerase with selectivity for Gram-positive bacteria over Gram-negative bacteria. |
| Synonyms |
Fidaxomicin Metabolite OP-1118-d5; Fidaxomicin Metabolite-D5; (3E,5E,8S,9E,11S,12R,13E,15E,18S)-3-[[[6-Deoxy-4-O-(3,5-dichloro-2-ethyl-4,6-dihydroxybenzoyl)-2-O-methyl-β-L-mannopyranosyl]oxy]methyl]-12-[(6-deoxy-5-C-methyl-β-D-lyxo-hexopyranosyl)oxy]-11-ethyl-8-hydroxy-18-[(1R)-1-hydroxyethyl]-9,13,15-trimethyloxacyclooctadeca-3,5,9,13,15-pentaen-2-one-d5; OP 1118-d5; OPT 1118-d5 |
| IUPAC Name |
(2R,3S,4S,5S,6R)-6-(((3E,5E,8S,9E,11S,12R,13E,15E,18S)-11-ethyl-8-hydroxy-18-((R)-1-hydroxyethyl)-9,13,15-trimethyl-2-oxo-12-(((2R,3S,4S,5S)-3,4,5-trihydroxy-6,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl)methoxy)-4-hydroxy-5-methoxy-2-methyltetrahydro-2H-pyran-3-yl 3,5-dichloro-2-(ethyl-d5)-4,6-dihydroxybenzoate |
| Related CAS |
1030825-28-5 (unlabelled) |
| Canonical SMILES |
O=C(O[C@@H]1[C@@H](C)O[C@@H](OC/C2=C\C=C\C[C@H](O)/C(C)=C/[C@H](CC)[C@@H](O[C@H]3[C@@H](O)[C@@H](O)[C@H](O)C(C)(C)O3)/C(C)=C/C(C)=C/C[C@@H]([C@H](O)C)OC2=O)[C@@H](OC)[C@H]1O)C4=C(O)C(Cl)=C(O)C(Cl)=C4C([2H])([2H])C([2H])([2H])[2H] |
| InChI |
InChI=1S/C48H68Cl2O17/c1-11-27-20-23(4)30(52)16-14-13-15-28(21-62-47-42(61-10)39(57)41(26(7)63-47)65-45(60)32-29(12-2)33(49)36(54)34(50)35(32)53)44(59)64-31(25(6)51)18-17-22(3)19-24(5)40(27)66-46-38(56)37(55)43(58)48(8,9)67-46/h13-15,17,19-20,25-27,30-31,37-43,46-47,51-58H,11-12,16,18,21H2,1-10H3/b14-13+,22-17+,23-20+,24-19+,28-15+/t25-,26-,27+,30+,31+,37-,38+,39+,40+,41-,42+,43+,46-,47-/m1/s1/i2D3,12D2 |
| InChI Key |
MWZWKUKATWMWGS-AFZGAVILSA-N |
| Purity |
>95% |
| Storage |
Store at 2-8 °C |
![Fidaxomicin Metabolite OP-1118-[d5]](https://resource.bocsci.com/structure/fidaxomicin-metabolite-op-1118-%5Bd5%5D.gif)
