Levothyroxine

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Systematic / IUPAC Name: O-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine

ID: Reference1242

Other Names: Henning;
Levothroid;
Levoxyl;
L-Thyroxine;
Synthroid ; more

Formula: C15H11I4NO4

Class: Endogenous Metabolites Therapeutics/Prescription Drugs Steroids/Vitamins/Hormones

Spectral Data

Levothyroxine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 333
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI; APCI
Analyzers FT
Last Modification 10/17/2016 1:41:11 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C15H11I4NO4/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/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1
InChI Key XUIIKFGFIJCVMT-LBPRGKRZSA-N
Canonical SMILES C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)O)N
CAS 51489
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Other Names Henning;
Levothroid;
Levoxyl;
L-Thyroxine;
Synthroid;
Tetraiodothyronine;
Tetramet;
Thryroxine, L-;
Thyratabs;
Thyrax;
Thyroxinal;
Thyroxine, L-;
Thyroxine;
β-[(3,5-Diiodo-4-hydroxyphenoxy)-3,5-diiodophenyl]alanine ;
(2S)-2-Amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid;
4-(4-Hydroxy-3,5-diiodophenoxy)-3,5-diiodo-L-phenylalanine;
L-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-

In Other Databases

KEGG C01829; C08212; D08125
ChEMBL CHEMBL1624
ChemIDPlus 000051489; 000055038; 008065290; 024486406; 001491914; 008061583; 050809320
ChEBI CHEBI:18332; CHEBI:58448
DrugBank APRD00235
PubChem 5819
Wikipedia Levothyroxine; Thyroxine
HMDb HMDB00248
ChemSpider 5614