Micafungin Impurity 1

cas: 539823-80-8 — see every product listed under this CAS number, including other names

Micafungin Impurity 1 (CAS 539823-80-8) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-M030610
cas539823-80-8
sizeon request
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Structural formula: {0} (CAS {1})

N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-6-[(1S,2S)-2-(3,4-dihydroxyphenyl)-1,2-dihydroxyethyl]-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzamide (CAS 539823-80-8) is a chemical compound with the molecular formula C56H71N9O20 and a molecular weight of 1190.2 g/mol. IUPAC name: N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-6-[(1S,2S)-2-(3,4-dihydroxyphenyl)-1,2-dihydroxyethyl]-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzamide. InChIKey: VJHYOZWFHJBKMZ-CICALKLBSA-N.

Identity
Molecular formulaC56H71N9O20
Molecular weight1190.2 g/mol
IUPAC nameN-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-6-[(1S,2S)-2-(3,4-dihydroxyphenyl)-1,2-dihydroxyethyl]-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzamide
InChIKeyVJHYOZWFHJBKMZ-CICALKLBSA-N
SMILESCCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)C(=O)N[C@H]4C[C@H]([C@H](NC(=O)[C@@H]5[C@H]([C@H](CN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)O)[C@@H]([C@H](C7=CC(=C(C=C7)O)O)O)O)[C@@H](CC(=O)N)O)C)O)O)O

Computed by PubChem (NCBI)

Synonyms: O-Desulfo Micafungin, Micafungin (m1), Micafungin Impurity 1, Micafungin Metabolite M1, orb2942737

Also listed as

Micafungin Metabolite M1 Chemat Brand CAS 539823-80-8
Micafungin Impurity 12 Hubei YoungXin CAS 539823-80-8
Pneumocandin A0, 95%, 95% Chemat CAS 539823-80-8