T4 (Levothyroxine)

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400 mcg per mL
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This product is prepared for LABORATORY RESEARCH USE ONLY and may not be used for other purposes.


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Molecular Formula C15H11I4NO4
Molecular Weight 776.87
Monoisotopic Mass 776.6867
Polar Area 92.8
Complexity 420
XLogP 2.4
Heavy Atom Count 24
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Physical Appearance Clear Liquid
Stability Room Temperature
PubChem LCSS T4 (Levothyroxine) Laboratory Chemical Safety Summary


CID 5819
CAS 51-48-9
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
Isomeric SMILES C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C[C@@H](C(=O)O)N
Canonical SMILES C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)O)N
IUPAC Name (2S)-2-amino-3-[4-(4-hydroxy-3, 5-diiodophenoxy)-3, 5-diiodophenyl]propanoic acid

2D Structure

Generated by Extreme Peptide with Open Babel, version 2.3.1, (accessed May 20, 2024)

T4 (Levothyroxine) 2D molecular structure vector generated with oBabel

3D Structure

Interactive 3D representation of T4 (Levothyroxine) (CID 5819)

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