Fidaxomicin Metabolite OP-1118

cas: 1030825-28-5 — see every product listed under this CAS number, including other names

Fidaxomicin Metabolite OP-1118 (CAS 1030825-28-5) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULF076005
cas1030825-28-5
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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categoryChemicals
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Structural formula: {0} (CAS {1})

[(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 (CAS 1030825-28-5) is a chemical compound with the molecular formula C48H68Cl2O17 and a molecular weight of 987.9 g/mol. 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. InChIKey: MWZWKUKATWMWGS-FXYIDGSOSA-N.

Identity
Molecular formulaC48H68Cl2O17
Molecular weight987.9 g/mol
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
InChIKeyMWZWKUKATWMWGS-FXYIDGSOSA-N
SMILESCC[C@H]1/C=C(/[C@H](C/C=C/C=C(/C(=O)O[C@@H](C/C=C(/C=C(/[C@@H]1O[C@H]2[C@H]([C@H]([C@@H](C(O2)(C)C)O)O)O)\C)\C)[C@@H](C)O)\CO[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)OC(=O)C4=C(C(=C(C(=C4O)Cl)O)Cl)CC)O)OC)O)\C

Computed by PubChem (NCBI)

Synonyms: Fidaxomicin-Met, Fidaxomicin Impurity 14, C48H68Cl2O17

Also listed as

Fidaxomicin Impurity 3 Hubei YoungXin CAS 1030825-28-5
OP-1118 TRC CAS 1030825-28-5