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Levothyroxine-[13C9,15N]

General Information
Catalog: BLP-009708
CAS: 1431868-11-9
Molecular Formula: C6[13C]9H11I415NO4
Molecular Weight: 786.77
Chemical Structure
Levothyroxine-[13C9,15N]
Description A labelled Levothyroxine. Levothyroxine is a thyroid medication used for the treatment of hypothyroidism.
Synonyms L-Thyroxine-13C9,15N
IUPAC Name (2S)-2-(15N)azanyl-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl](1,2,3-13C3)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/i1+1,2+1,3+1,6+1,10+1,11+1,12+1,14+1,15+1,20+1
InChI Key XUIIKFGFIJCVMT-LPIUGHGLSA-N
Purity > 95%

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