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L-Thyroxine sodium xhydrate

CAT: 0804-HY-W010669-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W010669-01Size:1 g
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Description
L-Thyroxine sodium xhydrate (Levothyroxine; T4) is a synthetic hormone in the treatment of hypothyroidism. DIO enzymes convert biologically active hormone (Triiodothyronine, T3) from L-Thyroxine (T4) .
CAS Number
25416-65-3
Product Name Alternative
Sodium levothyroxine
UNSPSC
12352200
Hazard Statement
H302, H315, H319, H335
Target
Thyroid Hormone Receptor
Type
Biochemical Assay Reagents
Related Pathways
Vitamin D Related/Nuclear Receptor
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Endocrinology
Assay Protocol
https://www.medchemexpress.com/L-Thyroxine_sodium_xhydrate.html
Purity
99.30
Solubility
0.01 M NaOH : 2 mg/mL (ultrasonic; warming; adjust pH to 12 with NaOH; heat to 60°C) |DMSO : 50 mg/mL (ultrasonic)
Smiles
IC1=C(O)C(I)=CC(OC2=C(I)C=C(C[C@@](N)([H])C(O[Na])=O)C=C2I)=C1.O
Molecular Formula
C15H12I4NNaO5
Molecular Weight
816.87
Precautions
H302, H315, H319, H335
References & Citations
[1]Arici M, et al. Association between genetic polymorphism and levothyroxine bioavailability in hypothyroid patients. Endocr J. 2018 Jan 11.|[2]Corriveau S, et al. Levothyroxine treatment generates an abnormal uterine contractility patterns in an in vitro animalmodel. J Clin Transl Endocrinol. 2015 Sep 9;2 (4) :144-149.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Biochemical Assay Reagents
Clinical Information
Phase 4
Citation 01
Ther Deliv. 2025 Oct 30:1-15.|Cell Rep Med. 2023 Jun 20;4 (6) :101061.|Dis Model Mech. 2024 Aug 14:dmm.050748.|EMBO J. 2024 Aug;43 (15) :3090-3115.|Mol Brain. 2021 Jan 27;14 (1) :25.|Nat Immunol. 2024 Apr;25 (4) :659-670.|Sci Rep. 2022 Jul 4;12 (1) :11259.|Stem Cell Rev Rep. 2021 Jun;17 (3) :999-1013.

Chemical Information

Levothyroxine sodium monohydrate

Levothyroxine sodium hydrate is an organic molecular entity.

CAS Number25416-65-3
PubChem CID23667619
IUPAC Namesodium;(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate;hydrate
Molecular FormulaC15H12I4NNaO5
Molecular Weight816.87
Topological Polar Surface Area96.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity426
SMILES
C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C[C@@H](C(=O)[O-])N.O.[Na+]
InChI
InChI=1S/C15H11I4NO4.Na.H2O/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);;1H2/q;+1;/p-1/t12-;;/m0../s1
InChIKey
ANMYAHDLKVNJJO-LTCKWSDVSA-M
Chemical Structure
2D Structure
2D structure of Levothyroxine sodium monohydrate
CAS: 25416-65-3
CID: 23667619
Formula: C15H12I4NNaO5
MW: 816.87
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight816.87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass816.6792
Monoisotopic Mass816.6792
Topological Polar Surface Area96.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity426
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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