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3,3',5'-Triiodo-L-Thyronine-[Ring-13C6] HCl

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General Information
Catalog: BLP-008883
CAS: 1217676-14-6
Molecular Formula: C9[13C]6H13ClI3NO4
Molecular Weight: 693.39

Chemical Structure

Description	3,3',5'-Triiodo-L-Thyronine-[Ring-13C6] HCl is the labelled hydrochloride form of 3,3',5'-Triiodo-L-Thyronine, which is used in the early detection and treatment of congenital or drug-induced hypothyroidism in the developing human fetus. It is also an impurity of Levothyroxine.
Synonyms	3,3',5'-Triiodothyronine-(diiodophenyl-13C6) hydrochloride; O-[4-Hydroxy-3,5-diiodo(13C6)phenyl]-3-iodo-L-tyrosine-hydrogen chloride
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-iodophenyl]propanoic acid;hydrochloride
Related CAS	5817-39-0 (unlbelled free base)
Canonical SMILES	C1=CC(=C(C=C1CC(C(=O)O)N)I)OC2=CC(=C(C(=C2)I)O)I.Cl
InChI	InChI=1S/C15H12I3NO4.ClH/c16-9-3-7(4-12(19)15(21)22)1-2-13(9)23-8-5-10(17)14(20)11(18)6-8;/h1-3,5-6,12,20H,4,19H2,(H,21,22);1H/t12-;/m0./s1/i5+1,6+1,8+1,10+1,11+1,14+1;
InChI Key	YCBXNJGXKMWFLL-UKPPHBCASA-N
Purity	95%