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CHEBI:747983 - detrothyronine

Default Structure
ChEBI IDCHEBI:747983
ChEBI Namedetrothyronine
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC15H12I3NO4
Net Charge0
Average Mass650.976
Monoisotopic Mass650.79005
SMILESN[C@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
InChIInChI=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-/m1/s1
InChIKeyAUYYCJSJGJYCDS-GFCCVEGCSA-N
Roles Classification
Application:
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
ChEBI Ontology
Outgoing Relation(s)
detrothyronine (CHEBI:747983) has role cardiovascular drug (CHEBI:35554)
detrothyronine (CHEBI:747983) is a phenylalanine derivative (CHEBI:25985)
INNs  Source
detrothyronineWHO MedNet
detrotironinaWHO MedNet
Synonyms  Source
DT-3ChEMBL
NSC-46046ChEMBL
Rathyronine, (r)-ChEMBL
Citations