Thyroxine Soduim Salt - 10mM in DMSO , CAS No.55-03-8

CAS: 55-03-8 Cat. No.: T424690 Fórmula: C15H10I4NNaO4·5H2O Peso molecular: 798.86(as Anhydrous) Beilstein Registry Number: 14(2)378 Número EC: 200-221-4

CALIDAD & PUREZA 10mM in DMSO

Synonyms

Cefax | UNII-054I36CPMN | AC-10210 | LT4 sodiumL-T4 sodium | Sodium levothyroxine | Z3222444503 | Levo-T | levothroid | YDTFRJLNMPSCFM-YDALLXLXSA-M | Levothyroxine sodium hydrate | Thyroxine sodium salt | 3,3',5,5'-Tetraiodo-L-thyronine, sodium salt | Let

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Thyroxine Soduim Salt is one of the thyroid hormones involved in the maintenance of metabolic homeostasis. Synthesized and stored as amino acid residues of thyroglobulin, the major protein component of the thyroid follicular colloid. Synthesis and secretion are regulated by the pituitary hormone (TSH). Deiodinated in peripheral tissues to the active metabolite, liothyronine.

Especificaciones

Sinónimos

Cefax | UNII-054I36CPMN | AC-10210 | LT4 sodiumL-T4 sodium | Sodium levothyroxine | Z3222444503 | Levo-T | levothroid | YDTFRJLNMPSCFM-YDALLXLXSA-M | Levothyroxine sodium hydrate | Thyroxine sodium salt | 3,3',5,5'-Tetraiodo-L-thyronine, sodium salt | Let

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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Nombres e identificadores

Pubchem Sid

528773527

Sonrisas canónicas

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

IUPAC Name

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

InChIKey

YDTFRJLNMPSCFM-YDALLXLXSA-M

INCHI

1S/C15H11I4NO4.Na/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);/q;+1/p-1/t12-;/m0./s1

Isómeros SMILES

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

RTECS

XP3583000

CAS alternativo

51-48-9

Peso molecular

798.86(as Anhydrous)

Beilstein

14(2)378

Reaxy-Rn

3849340

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3849340&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase 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
• Clase: 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
• Descripción: 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: organic sodium salt

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

Propiedades químicas y físicas

• Punto de fusión (°C): 215-218° C (dec.)
• Peso molecular: 798.850 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 798.669 Da
• Monoisotopic Mass: 798.669 Da
• Topological Polar Surface Area: 95.600 Ų
• Heavy Atom Count: 25
• 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: 2

XLogP3