Liothyronine sodium(55-06-1) IR1
Product NameLiothyronine sodium
CAS55-06-1
Molecular FormulaC15H11I3NNaO4
Molecular Weight672.96
InChIInChI=1/C15H12I3NO4.Na/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22;/h1-4,6,12,20H,5,19H2,(H,21,22);/q;+1/p-1/t12-;/s3
InChIKey SBXXSUDPJJJJLC-ZLBVLXFENA-M
SmilesC1(C(I)=CC(C[C@H](N)C([O-])=O)=CC=1I)OC1=CC=C(O)C(I)=C1.[Na+] |&1:6,r|
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C15 H11 I3 N Na O4 0.029 g : 0.5 ml DMSO-d6 sodium O(4)-(4-hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosinate 
Assign. Shift(ppm)
A 7.794 B 6.969 C 6.841 D 6.536 E 3.218 F *1 2.98 G *1 2.558
Hz ppm Int.3114.99 7.795 1000 3110.35 7.783 46 3109.01 7.780 41 3107.67 7.776 33 2786.74 6.973 351 2783.69 6.966 355 2742.55 6.863 36 2739.01 6.854 189 2733.64 6.841 46 2730.10 6.832 230 2617.80 6.551 141 2614.87 6.543 132 2609.01 6.529 128 2605.96 6.521 126 1290.28 3.229 86 1281.86 3.208 78 1198.36 2.999 62 1187.74 2.972 72 1034.91 2.590 53 1034.55 2.589 54 1025.51 2.567 62 1025.15 2.566 61 1023.68 2.562 55 1022.71 2.560 56 1021.61 2.557 60 1021.00 2.555 59 1012.82 2.535 52 1012.21 2.533 52 1010.62 2.529 44
in DMSO-d6
KBr disc
