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L-Thyroxine-[13C6]

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General Information
Catalog: BLP-008238
CAS: 1217780-14-7
Molecular Formula: C9[13C]6H11I4NO4
Molecular Weight: 782.83

Chemical Structure

Description	L-Thyroxine-[13C6] is the labelled analogue of L-Thyroxine, which is a thyroid medication used for the treatment of hypothyroidism.
Synonyms	O-(4-Hydroxy-3,5-diiodophenyl-13C6)-3,5-diiodo-L-tyrosine; Thyroxine-13C6; O-(4-Hydroxy-3,5-diiodophenyl-1,2,3,4,5,6-13C6)-3,5-diiodo-L-tyrosine; L-Thyroxine-13C6; Levothyroxine-13C6; Tetraiodothyronine-13C6
IUPAC Name	(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)oxy-3,5-diiodophenyl]propanoic acid
Related CAS	51-48-9 (unlabelled)
Canonical SMILES	C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)O)N
InChI	InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1/i4+1,5+1,7+1,8+1,9+1,13+1
InChI Key	XUIIKFGFIJCVMT-DOEZJOBUSA-N
Melting Point	>175°C (dec.)
Purity	96%; ≥99% atom 13C
Solubility	Slightly soluble in DMSO, Methanol (Sonicated)
Appearance	White Solid
Storage	Store at -20°C under inert atmosphere