EcoDrugPlus


Synonyms	Liothyronine i 131 Liothyronine i-131 Tri-thyrotope Triomet-131
Status
Molecule Category	Free-form
UNII	86AZ0G22V2


InChI Key	AUYYCJSJGJYCDS-UMVFHIKJSA-N
Smiles	N[C@@H](Cc1cc([131I])c(Oc2ccc(O)c([131I])c2)c([131I])c1)C(=O)O
InChI	InChI=1S/C15H12I3NO4/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)/t12-/m0/s1/i16+4,17+4,18+4

Property Name	Value
Molecular Formula	C15H12I3NO4
Molecular Weight	662.98
AlogP	3.95
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	5.0
Polar Surface Area	92.78
Molecular species	ZWITTERION
Aromatic Rings	2.0
Heavy Atoms	23.0

Resources	Reference
ChEMBL	CHEMBL2106622
DrugBank	DB12425
FDA SRS	86AZ0G22V2
ZINC	ZINC000150340615

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

LIOTHYRONINE I 131

Structure

Physicochemical Descriptors

Related Entries

Cross References