L-Dopa-(phenyl-d₃) - ≥98 atom% D,≥95% , CAS No.53587-29-4

CAS: 53587-29-4 Cat. No.: L464642 Formule: C₉H₈D₃NO₄ Poids moléculaire: 200.21 Numéro CE: 624-712-1

GRADE & PURITY ≥98 atom% D,≥95%

Synonyms

DTXSID20425998 | L-Dopa-(phenyl-d3) | HY-132392S | 3-(3,4-Dihydroxyphenyl-2,5,6-d3)-L-alanine | L-DOPA-d3 | SCHEMBL2160961 | MS-23082 | AKOS030242392 | D97885 | L-Dopa-(phenyl-d3), >=98 atom % D, >=98% (CP) | A935317 | Levodop-d3 | (S)-2-Amino-3-(3,4-dihy

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Description

L-Dopa-(phenyl-d3) or (3-(3,4-dihydroxyphenyl-2,5,6-d3)-L-alanine) can be used as an internal standard for the quantification of methyldopa in human plasma by LC-MS-MS based method.

Specifications

Synonymes

DTXSID20425998 | L-Dopa-(phenyl-d3) | HY-132392S | 3-(3,4-Dihydroxyphenyl-2,5,6-d3)-L-alanine | L-DOPA-d3 | SCHEMBL2160961 | MS-23082 | AKOS030242392 | D97885 | L-Dopa-(phenyl-d3), >=98 atom % D, >=98% (CP) | A935317 | Levodop-d3 | (S)-2-Amino-3-(3,4-dihy

Spécifications et pureté

≥98 atom% D,≥95%

Conditions de stockage de stockage

Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98 atom% D,≥95%

Noms et identifiants

• Pubchem Sid: 528765165
• Sourires canoniques: C1=CC(=C(C=C1CC(C(=O)O)N)O)O
• IUPAC Name: (2S)-2-amino-3-(2,3,6-trideuterio-4,5-dihydroxyphenyl)propanoic acid
• InChIKey: WTDRDQBEARUVNC-UOCCHMHCSA-N
• INCHI: 1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1/i1D,2D,4D
• Isomères SMILES: [2H]C1=C(C(=C(C(=C1C[C@@H](C(=O)O)N)[2H])O)O)[2H]
• CAS alternatif: 59-92-7(unlabbled)
• Poids moléculaire: 200.21
• Reaxy-Rn: 1462084
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1462084&ln=

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 Tyrosine 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: Tyrosine and derivatives
• Alternative Parents: Phenylalanine and derivatives Phenylpropanoic acids L-alpha-amino acids Amphetamines and derivatives Catechols Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tyrosine or derivatives - Phenylalanine or derivatives - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - L-alpha-amino acid - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Primary amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as tyrosine and derivatives. These are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine 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

Propriétés chimiques et physiques

• Sensibilité: light and moisture and air sensitive
• Rotation spécifique [α]: [α]27/D −11.5°, c = 5 in 1 M HCl
• Poids moléculaire: 200.210 g/mol
• XLogP3: -2.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 200.088 Da
• Monoisotopic Mass: 200.088 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 209.000
• Isotope Atom Count: 3
• 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: 1