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Thyroxine chemical structure, C15H11I4NO4, CAS 51-48-9
2D chemical structure

Key facts

What buyers check first

Appearance
Crystals
Melting point
235 to 236
Solubility
Slightly soluble in water
HS code
293790
Category
Hormones and steroids
Illustrative photo, closed white HDPE bottles and amber jars on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is Thyroxine?

Plain description, key identifiers and synonyms

L-thyroxine is the L-enantiomer of thyroxine. It has a role as an antithyroid drug, a thyroid hormone, a mouse metabolite and a human metabolite. It is an iodophenol, a thyroxine, a 2-halophenol, a non-proteinogenic L-alpha-amino acid and a L-phenylalanine derivative. It is a conjugate acid of a L-thyroxine(1-). It is an enantiomer of a D-thyroxine. It is a tautomer of a L-thyroxine zwitterion.

Thyroxine is a thyroid hormone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
CAS number
51-48-9 CAS number cross-checkedOther or deprecated CAS: 7488-70-2
EC number
200-101-1
Molecular formula
C15H11I4NO4
UNII
Q51BO43MG4
MDL number
MFCD00002595
InChIKey
XUIIKFGFIJCVMT-LBPRGKRZSA-N
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
Canonical SMILES
NC(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O
Isomeric SMILES
C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C[C@@H](C(=O)O)N

Synonyms

  • thyroxin
  • L Thyroxin beta
  • L Thyrox
  • L Thyroxine Roche
  • L Thyroxin Henning
  • Levothyroxin Delalande
  • L-3,5,5'-tetraiodothyronine
  • 2-amino-3-(4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl)propanoic acid
  • Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-
  • L-thyroxine
  • levothyroxine
  • Tetraiodothyronine
  • Thyreoideum
  • Thyroxinal
  • Levothyroxin
  • Thyratabs
  • Thyrax
  • Thyroxine iodine
  • (-)-Thyroxine
  • 3,3',5,5'-Tetraiodo-L-thyronine
  • O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine
  • L-Thyroxin
  • 3,5,3',5'-Tetraiodo-L-thyronine
  • Thyroxine (l)
  • DL-Thyroxin
Show all 38 synonyms
  • Thyroxine (VAN)
  • Laevothyroxinum
  • Levothyroxinum (acid)
  • Laevothyroxinum (acid)
  • 3,5,3',5'-Tetraiodothyronine
  • Thryroxine, l-
  • Thyroxine, L-
  • L-3,5,3',5'-Tetraiodothyronine
  • Forthyron (TN)
  • (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
  • Levothyroxinum
  • Henning
  • 3,5,3'5'-Tetraiodo-L-thyronine

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

Appearance
Crystalsexp.
Melting point
235 to 236exp.
Solubility
Slightly soluble in waterexp.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
776.87 g/molcalc.
Exact mass
776.6867 Dacalc.
LogP (octanol/water)
4.56calc.
Topological polar surface area
92.78 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
5calc.
Heavy atoms
24calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.13calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc(Oc2ccccc2)cc1

c1ccc(Oc2ccccc2)cc1

2 rings, 13 atoms, the Diphenyl ether ring system.

9,579 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H302Harmful if swallowed.
  • H361Suspected of damaging fertility or the unborn child.
  • H372Causes damage to organs through prolonged or repeated exposure.
Precautionary statements (11)
  • P203Obtain, read and follow all safety instructions before use.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P318If exposed or concerned, get medical advice.
  • P319Get medical help if you feel unwell.
  • P330Rinse mouth.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Thyroxine suppliers

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Thyroxine price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Veterinary medication:.

Roles

  • agonist
  • animal metabolite
  • antagonist
  • antiinfective agent
  • antipsychotic agent
  • antithyroid drug
  • central nervous system depressant
  • central nervous system drug
  • eukaryotic metabolite
  • hormone
  • hormone antagonist
  • hormone receptor modulator
  • human metabolite
  • hypoglycemic agent
  • mammalian metabolite
  • metabolite
  • molecular messenger
  • mouse metabolite
  • pharmaceutical
  • psychotropic drug
  • receptor modulator
  • thyroid hormone
  • tranquilizing drug

Pharmacology

Levothyroxine is a l-Thyroxine.

How it is made

The thyroid hormones thyroxine (L-3,5,3',5'-tetraiodothyronine, T4) and 3,5,3'-triiodothyronine, T3, are iodinated derivatives of thyronine and are formed by oxidative coupling of the precursors 3-monoiodotyrosine and 3,5-diiodotyrosine.

Synthesized and stored as amino acid residues of thyroglobulin, the major protein component of the thyroid follicular colloid.

Regulatory status

Inventories, regulations and trade controls that list this substance

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Thyroxine is traded under.

HS 2937.90Indicative HS code

Derivatives and structural analogues thereof, including chain modified polypeptides, used primarily as…

World exports in 2024
$366M
−8.6% vs 2023, imports $397M
2019 to 2024
Top exporters
  1. France * partner reported31.2%
  2. Ireland21.7%
  3. Germany12.7%
Top importers
  1. United States44.2%
  2. France * partner reported20.3%
  3. China7.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Thyroxine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Thyroxine, based on the data on this page

What is Thyroxine?

L-thyroxine is the L-enantiomer of thyroxine. It has a role as an antithyroid drug, a thyroid hormone, a mouse metabolite and a human metabolite. It is an iodophenol, a thyroxine, a 2-halophenol, a non-proteinogenic L-alpha-amino acid and a L-phenylalanine derivative. It is a conjugate acid of a L-thyroxine(1-).

What is the CAS number of Thyroxine?

The CAS registry number of Thyroxine is 51-48-9. Other or deprecated CAS numbers: 7488-70-2.

What is the molecular formula and weight of Thyroxine?

The molecular formula of Thyroxine is C15H11I4NO4 and its molar mass is 776.87 g/mol.

What is Thyroxine used for?

Veterinary medication:.

Is Thyroxine hazardous?

Thyroxine carries the GHS signal word "Danger". Main hazards: harmful if swallowed, suspected of damaging fertility or the unborn child, causes damage to organs through prolonged or repeated exposure. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Thyroxine?

Thyroxine is usually classified under HS code 293790 (Hormones, prostaglandins, thromboxanes and leukotrienes, natural or reproduced by…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Thyroxine?

CompoundList lists 79 suppliers of Thyroxine in China, United States, Germany, United Kingdom and 8 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Thyroxine in India?

2 suppliers in India list Thyroxine on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Thyroxine?

Suppliers quote Thyroxine on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Thyroxine

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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