Micafungin Impurity 10

cas: 539823-82-0 — see every product listed under this CAS number, including other names

Micafungin Impurity 10 (CAS 539823-82-0) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULPM127021
cas539823-82-0
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Structural formula: {0} (CAS {1})

Sodium [5-[(1S,2S,3S)-4-[[(2S,3R)-5-amino-1-[(2S,3S,4S)-2-carbamoyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-hydroxy-1,5-dioxopentan-2-yl]amino]-3-[[(2S,4R)-1-[(2S,3R)-2-[[(2S,4R)-4,5-dihydroxy-1-[4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-1,2-dihydroxy-4-oxobutyl]-2-hydroxyphenyl] sulfate (CAS 539823-82-0) is a chemical compound with the molecular formula C56H70N9NaO23S and a molecular weight of 1292.3 g/mol. IUPAC name: sodium [5-[(1S,2S,3S)-4-[[(2S,3R)-5-amino-1-[(2S,3S,4S)-2-carbamoyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-hydroxy-1,5-dioxopentan-2-yl]amino]-3-[[(2S,4R)-1-[(2S,3R)-2-[[(2S,4R)-4,5-dihydroxy-1-[4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-1,2-dihydroxy-4-oxobutyl]-2-hydroxyphenyl] sulfate. InChIKey: DBNWVUGZEUASHB-ZLNXTIBKSA-M.

Identity
Molecular formulaC56H70N9NaO23S
Molecular weight1292.3 g/mol
IUPAC namesodium [5-[(1S,2S,3S)-4-[[(2S,3R)-5-amino-1-[(2S,3S,4S)-2-carbamoyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-hydroxy-1,5-dioxopentan-2-yl]amino]-3-[[(2S,4R)-1-[(2S,3R)-2-[[(2S,4R)-4,5-dihydroxy-1-[4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-1,2-dihydroxy-4-oxobutyl]-2-hydroxyphenyl] sulfate
InChIKeyDBNWVUGZEUASHB-ZLNXTIBKSA-M
SMILESCCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)C(=O)N4[C@@H](C[C@H](C4O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N5C[C@@H](C[C@H]5C(=O)N[C@@H]([C@@H]([C@H](C6=CC(=C(C=C6)O)OS(=O)(=O)[O-])O)O)C(=O)N[C@@H]([C@@H](CC(=O)N)O)C(=O)N7C[C@@H]([C@@H]([C@H]7C(=O)N)O)C)O.[Na+]

Computed by PubChem (NCBI)

Synonyms: Micafungin open ring Impurity, Micafungin Open-Ring Analog Sodium salt, Micafungin Open-ring Analog
Isomers (same molecular formula)
sodium [5-[(1S,2S)-2-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-18-[[4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzoyl]amino]-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-1,2-dihydroxyethyl]-2-hydroxyphenyl] sulfate C56H70N9NaO23S
sodium [5-[(1S,2S)-2-[(3S,6S,9S,11R,15S,18S,20R,21S,24S,25S,26S)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-18-[[4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzoyl]amino]-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-1,2-dihydroxyethyl]-2-hydroxyphenyl] sulfate C56H70N9NaO23S
sodium [5-[(1S,2S)-2-[(3S,6S,11R,18S,20S,21R,25S,26S)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-18-[[4-[3-(4-pentoxyphenyl)-1,2-oxazol-5-yl]benzoyl]amino]-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-1,2-dihydroxyethyl]-2-hydroxyphenyl] sulfate C56H70N9NaO23S

Also listed as

Micafungin open ring Impurity TRC CAS 539823-82-0