Levothyroxine sodium hydrate - analytical standard , CAS No.25416-65-3

CAS: 25416-65-3 Cat. No.: L135598 Formula: C₁₅H₁₀I₄NNaO₄·xH₂O Peso molecolare: 798.86 (anhydrous basis) Numero EC: 685-634-1 PubChem CID: 23667619

QUALITÀ & PUREZZA Analytical standard

Synonyms

3,3',5,5'-Tetraiodo-L-thyronine monosodium salt|Sodium (S)-2-amino-3-(4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl)propanoate xhydrate|sodium;(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate;hydrate|Thyroxine sodium|L-thyroxine sodium salt monohydrate|L-Thyroxine sodium xhydrate|Synthroid (TN)|Levothroid (TN)|starbld0009614|synthroid|Levo-T|Levothyroxine sodium [USP:INN:JAN]|T4 (LIOTRIX)|Levothyrox|Levo-Tiroxina Glaxo|LEVOTHYROXINE SODIUM MONOHYDRATE [WHO-IP]|Latequatro|Levothyroxinum natricum anhydrous|LEVOTHYROXINUM NATRICUM MONOHYDRATE [WHO-IP LATIN]|Scalibor [veterinary] (TN)|Levothyroxine sodium|Levaxin|Levothyroxine sodium hydrate (JP17)|Tiroxina|Levothyroxine sodium (USP)|L-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-, monosodium salt, hydrate|Levoroxin|Monosodium L-thyroxine hydrate|O-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine Sodium Salt Hydrate|Levothyroxine sodium hydrate|Sodium levothyroxine pentahydrate|Thyroxine sodium salt|3-Phenoxybenzyl (1RS)-cis-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|L-Thyroxin monosodium salt|L-Thyroxine sodium hydrate|Letequatro|Levothyroxine sodium; Sodium (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate|Levotiron|Sodium (S)-2-amino-3-(4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl)propanoate hydrate|Eferox|Levothyroxine sodium monohydrate|Oroxine|sodium 2-amino-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]propanoate hydrate|3,3',5,5'-Tetraiodo-L-thyronine monosodium salt hydrate|Levoxyl|Soloxine|Liotrix (t4)|Tivoral|levothroid

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

3,3',5,5'-Tetraiodo-L-thyronine monosodium salt | Sodium (S)-2-amino-3-(4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl)propanoate xhydrate | sodium;(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate;hydrate | Thyroxine sodium | L-thyroxine sodium salt monohydrate | L-Thyroxine sodium xhydrate | Synthroid (TN) | Mostra altro

Specifiche e purezza

analytical standard

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Grado

Standard analitico

Nomi e identificatori

Pubchem Sid

528771574

Sorrisi canonici

C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)[O-])N.O.[Na+]

IUPAC Name

sodium;(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate;hydrate

InChIKey

ANMYAHDLKVNJJO-LTCKWSDVSA-M

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

Isomeri 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+]

CAS alternativo

55-03-8；50809-32-0

PubChem CID

23667619

Peso molecolare

798.86 (anhydrous basis)

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Phenylalanine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Phenylalanine and derivatives
• Alternative Parents: Diphenylethers Phenylpropanoic acids Diarylethers Amphetamines and derivatives L-alpha-amino acids Phenoxy compounds Phenol ethers O-iodophenols Aralkylamines Iodobenzenes Aryl iodides Amino acids Carboxylic acid salts Organic metal halides Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Monoalkylamines Organic oxides Carbonyl compounds Organic sodium salts Organic zwitterions Organoiodides Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalanine or derivatives - Diphenylether - 3-phenylpropanoic-acid - Diaryl ether - Alpha-amino acid - Amphetamine or derivatives - L-alpha-amino acid - Phenoxy compound - Phenol ether - 2-iodophenol - 2-halophenol - Phenol - Iodobenzene - Halobenzene - Aralkylamine - Aryl halide - Aryl iodide - Benzenoid - Monocyclic benzene moiety - Carboxylic acid salt - Amino acid - Organic metal halide - Carboxylic acid - Organic alkali metal salt - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organopnictogen compound - Primary aliphatic amine - Organic zwitterion - Organic salt - Organic sodium salt - Organic oxygen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Primary amine - Organohalogen compound - Organoiodide - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Peso molecolare: 816.870 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 816.679 Da
• Monoisotopic Mass: 816.679 Da
• Topological Polar Surface Area: 96.600 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 426.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3