Products 21462-56-6

CAS 21462-56-6 appears in our catalog under these names: Levothyroxine phenolic glucuronide, Thyroxine 4’-O-Beta-D-Glucuronide, >95% (HPLC), Thyroxine glucuronide. Offered by: Chemat Brand, TRC, Biosynth. Available pack sizes: on request, 10mg, 1mg, 5mg, 2mg, 25mg.

Levothyroxine phenolic glucuronide
Chemat Brand
  • size: on request
  • Variants: 1
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Thyroxine 4’-O-Beta-D-Glucuronide, >95% (HPLC)
TRC
  • size: 10mg, 1mg, 5mg
  • Variants: 3
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Thyroxine glucuronide
Biosynth
  • size: 2mg, 1mg, 5mg, 10mg
  • Variants: 5
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6S)-6-[4-[4-[(2S)-2-amino-2-carboxyethyl]-2,6-diiodophenoxy]-2,6-diiodophenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 21462-56-6) is a chemical compound with the molecular formula C21H19I4NO10 and a molecular weight of 953.0 g/mol. IUPAC name: (2S,3S,4S,5R,6S)-6-[4-[4-[(2S)-2-amino-2-carboxyethyl]-2,6-diiodophenoxy]-2,6-diiodophenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: RGHRJBIKIYUHEV-OBOXGAGSSA-N.

Identity
Molecular formulaC21H19I4NO10
Molecular weight953.0 g/mol
IUPAC name(2S,3S,4S,5R,6S)-6-[4-[4-[(2S)-2-amino-2-carboxyethyl]-2,6-diiodophenoxy]-2,6-diiodophenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyRGHRJBIKIYUHEV-OBOXGAGSSA-N
SMILESC1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)I)I)C[C@@H](C(=O)O)N

Computed by PubChem (NCBI)

Synonyms: Thyroxine glucuronide, Thyroxine 4'-O-b-D-Glucuronide, Levothyroxine Phenolic Glucuronide, Thyroxine 4 inverted exclamation mark -O-b-D-Glucuronide
Isomers (same molecular formula)
(2S,3S,4S,5R,6S)-6-[(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid C21H19I4NO10