Desisobutyrylfidaxomicin
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| Category | Others |
| Catalog number | BBF-05694 |
| CAS | 1030825-28-5 |
| Molecular Weight | 987.95 |
| Molecular Formula | C48H68Cl2O17 |
| Purity | >95% |
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Description
A derivative of Fidaxomycin. Fidaxomycin is a natural macrocyclic antibiotic that inhibits RNA polymerase with selectivity for Gram-positive bacteria over Gram-negative bacteria.
Specification
| Synonyms | OP 1118; Fidaxomicin Metabolite OP-1118; (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-beta-L-mannopyranosyl]oxy]methyl]-12-[(6-deoxy-5-C-methyl-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; OPT 1118; Des Iso Butyryl Fidaxomicin; Fidaxomicin Impurity 3 |
| IUPAC Name | [(2S,3R,4R,5R,6S)-6-[[(3E,5E,8S,9E,11S,12R,13E,15E,18S)-11-ethyl-8-hydroxy-18-[(1R)-1-hydroxyethyl]-9,13,15-trimethyl-2-oxo-12-[(2R,3S,4S,5S)-3,4,5-trihydroxy-6,6-dimethyloxan-2-yl]oxy-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 |
| Canonical SMILES | CCC1C=C(C(CC=CC=C(C(=O)OC(CC=C(C=C(C1OC2C(C(C(C(O2)(C)C)O)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 |
| 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 |
| InChI Key | MWZWKUKATWMWGS-FXYIDGSOSA-N |
Properties
| Appearance | White to Off-White Solid |
| Boiling Point | 1037.6±65.0°C (Predicted) |
| Melting Point | >150°C |
| Density | 1.37±0.1 g/cm3 (Predicted) |
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Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2
* Total Molecular Weight:
g/mol
Tip: Chemical formula is case sensitive. C22H30N4O √ c22h30n40 ╳
