23420 <common-name>Liotrix</common-name> <description nil="true"/> <cas>8065-29-0</cas> <pubchem-id nil="true"/> <chemical-formula>C30H21I7N2Na2O8</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-05-25T18:27:55Z</created-at> <updated-at type="dateTime">2026-05-14T17:09:58Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id>DB01583</drugbank-id> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>[Na+].[Na+].N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C([O-])=O.N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C([O-])=O</moldb-smiles> <moldb-formula>C30H21I7N2Na2O8</moldb-formula> <moldb-inchi>InChI=1S/C15H11I4NO4.C15H12I3NO4.2Na/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;16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22;;/h1-2,4-5,12,21H,3,20H2,(H,22,23);1-4,6,12,20H,5,19H2,(H,21,22);;/q;;2*+1/p-2/t2*12-;;/m00../s1</moldb-inchi> <moldb-inchikey>LKYWLLWWYBVUPP-XOCLESOZSA-L</moldb-inchikey> <moldb-average-mass type="decimal">1471.8072</moldb-average-mass> <moldb-mono-mass type="decimal">1471.440608948</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.73</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM022315</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>disodium (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate (2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoate</iupac> <moldb-polar-surface-area>95.61</moldb-polar-surface-area> <moldb-refractivity>137.62509999999997</moldb-refractivity> <moldb-polarizability>49.040093392834315</moldb-polarizability> <moldb-rotatable-bond-count>10</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>0.2733674568179616</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>9.433364269994815</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer">36</paper-count> <sync-id>CED0025623</sync-id> <structure-inchikey>LKYWLLWWYBVUPP-XOCLESOZSA-L</structure-inchikey> <structure-fingerprint>40000080000000000001808000000000000000000000000000200000000000000000000000000000200400000000000010000000000000000040004000000000000000000000000002000000002000000020040000000100001200100000000000002000010000000000000000100000000000000000100000000000000000408000000040000000000000000000000000001000000000040020000000000000000000002000000000000020080000008000000000000000100000000000000000000000000000002100400002000000000000000000000000000220100000000000000000000040000040000000000400000000008000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������1���1���€�� ������ �������`������ 4��������`������@(������@h�������@(�����5� �����@(�������(������@(������@h�������@(�����5� �����@(�������h�������@h�������@h�������@(�����5� �����@h��������(������ *���ÿ����(�������`������ 4��������`������@(������@h�������@(�����5� �����@(�������(������@(������@h�������@(�����5� �����@(�������h�������@(�����5� �����@h�������@(�����5� �����@h��������(������ *���ÿ����(�����������������h���h����� h� � ��h�� h� �� �h��� ��h���h� �h������h������ ��(������������h���h����� h� ! !" "#h�#$h�$%�$&h�&' &(h�()�(*h� +h�+,�+-h��.�./ .0(���h�-�h���h�*"h�B�������� ���� ������-+ ���#$&(*"����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:09:17Z</structure-indexed-at> </compound>