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3, 3'-Diiodo-L-thyronine-(phenoxy-[13C6])

General Information
Catalog: BLP-005713
CAS: 1217459-13-6
Molecular Formula: [13C]6C9H13I2NO4
Molecular Weight: 531.03
Chemical Structure
3, 3'-Diiodo-L-thyronine-(phenoxy-[13C6])
Description 3, 3'-Diiodo-L-thyronine-(phenoxy-[13C6]) is intended for use as an internal standard for 3,3'-Diiodo-L-thyronine. 3,3'-Diiodo-L-thyronine is a metabolite of thyroid hormone that is also known as T2.
Synonyms T2-13C6
IUPAC Name (2S)-2-amino-3-[4-(4-hydroxy-3-iodo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)oxy-3-iodophenyl]propanoic acid
Related CAS 4604-41-5 (unlabelled)
Isomeric SMILES C1=CC(=C(C=C1C[C@@H](C(=O)O)N)I)O[13C]2=[13CH][13C](=[13C]([13CH]=[13CH]2)O)I
Canonical SMILES C1=CC(=C(C=C1CC(C(=O)O)N)I)OC2=CC(=C(C=C2)O)I
InChI InChI=1S/C15H13I2NO4/c16-10-7-9(2-3-13(10)19)22-14-4-1-8(5-11(14)17)6-12(18)15(20)21/h1-5,7,12,19H,6,18H2,(H,20,21)/t12-/m0/s1/i2+1,3+1,7+1,9+1,10+1,13+1
InChI Key CPCJBZABTUOGNM-USQDWSSZSA-N
Purity 97% by CP; 99% atom 13C
Appearance Solid
Storage Store at -20°C

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