Canagliflozin Impurity B

cas: 1589590-87-3 — see every product listed under this CAS number, including other names

Canagliflozin Impurity B (CAS 1589590-87-3) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-C182572
cas1589590-87-3
sizeon request
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Structural formula: {0} (CAS {1})

(2R,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol (CAS 1589590-87-3) is a chemical compound with the molecular formula C24H25FO5S and a molecular weight of 444.5 g/mol. IUPAC name: (2R,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol. InChIKey: XTNGUQKDFGDXSJ-PFKOEMKTSA-N.

Identity
Molecular formulaC24H25FO5S
Molecular weight444.5 g/mol
IUPAC name(2R,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
InChIKeyXTNGUQKDFGDXSJ-PFKOEMKTSA-N
SMILESCC1=C(C=C(C=C1)[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F

Computed by PubChem (NCBI)

Synonyms: Canagliflozin I+-, Canagliflozin alpha Isomer, Canagliflozin Impurity B, epi-Canagliflozin, Canagliflozin |A Isomer, Canagliflozin 1-Epimer, Canagliflozin alpha-Isomer, Cagliflozin impurity, Canagliflozin impurity C, Cagliflozin Impurity 34 (alpha Isomer)
Related forms of this compound
(2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol C24H25FO5S
(2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol C24H25FO5S
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-methyl-3-[[5-(2,3,5,6-tetradeuterio-4-fluorophenyl)thiophen-2-yl]methyl]phenyl]oxane-3,4,5-triol C24H25FO5S
Isomers (same molecular formula)
2-(1,2-dihydroxyethyl)-5-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]oxolane-3,4-diol C24H25FO5S
(2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol C24H25FO5S
(2S,3R,4R,5S,6R)-2-[3-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol C24H25FO5S

Also listed as

Canagliflozin Impurity 34 (alpha Isomer) Chemat Brand CAS 1589590-87-3
epi-Canagliflozin, >95% (HPLC) TRC CAS 1589590-87-3
Epi-canagliflozin Biosynth CAS 1589590-87-3
(2R,3R,4R,5S,6R)-2-(3-((5-(4-Fluorophenyl)thiophen-2-yl)methyl)-4-methylphenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, 98%, 98% Chemat CAS 1589590-87-3
(2R,3R,4R,5S,6R)-2-(3-((5-(4-fluorophenyl)thiophen-2-yl)methyl)-4-methylphenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, 98% Fluorochem CAS 1589590-87-3