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L-Thyroxine-(diphenyl-[13C12])

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General Information
Catalog: BLP-001013
Molecular Formula: C3[13C]12H11I4NO4
Molecular Weight: 788.78

Chemical Structure

Description	L-Thyroxine-(diphenyl-[13C12]) is a labelled L-Thyroxine. L-Thyroxine is a synthetic form of thyroxine and a hormone replacement drug.
Synonyms	3,3',5,5''-Tetraiodo-L-thyronine-13C12; 3-[4-(4-Hydroxy-3,5-diiodophenoxy-13C6)-3,5-diiodophenyl-13C6]-L-alanine; T4-(ring-13C12)
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 diiodo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]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+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,13+1,14+1
InChI Key	XUIIKFGFIJCVMT-HTYRUWRGSA-N
Melting Point	223 °C ((dec.)) (lit.)
Purity	97% by CP; 99% atom 13C
Storage	2-8°C