Ranolazine-d3 , CAS No.1054624-77-9

CAS: 1054624-77-9 Cat. No.: R334094 Formule: C₂₄H₃₀D₃N₃O₄ Poids moléculaire: 430.56 PubChem CID: 25160824

Synonyms

DTXSID60648922 | MS-27658 | SCHEMBL12601020 | Ranolazine-d3 | AKOS030243095 | J-001427 | N-(2,6-Dimethylphenyl)-2-[4-(2-hydroxy-3-{2-[(~2~H_3_)methyloxy]phenoxy}propyl)piperazin-1-yl]acetamide | N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[2-(trideuteriometh

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Ranolazine-d3 is an anti-ischemic agent which modulates myocardial metabolism. It is also an antianginal agent.

Specifications

Synonymes

DTXSID60648922 | MS-27658 | SCHEMBL12601020 | Ranolazine-d3 | AKOS030243095 | J-001427 | N-(2,6-Dimethylphenyl)-2-[4-(2-hydroxy-3-{2-[(~2~H_3_)methyloxy]phenoxy}propyl)piperazin-1-yl]acetamide | N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[2-(trideuteriometh

Conditions de stockage de stockage

Store at -20°C

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.

Noms et identifiants

Sourires canoniques

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O

IUPAC Name

N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[2-(trideuteriomethoxy)phenoxy]propyl]piperazin-1-yl]acetamide

InChIKey

XKLMZUWKNUAPSZ-HPRDVNIFSA-N

INCHI

1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)/i3D3

Isomères SMILES

[2H]C([2H])([2H])OC1=CC=CC=C1OCC(CN2CCN(CC2)CC(=O)NC3=C(C=CC=C3C)C)O

PubChem CID

25160824

Poids moléculaire

430.56

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 Alpha amino acid amides

• 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: Alpha amino acid amides
• Alternative Parents: N-piperazineacetamides Anilides m-Xylenes Anisoles Methoxybenzenes Phenoxy compounds N-arylamides Alkyl aryl ethers N-alkylpiperazines Secondary alcohols Secondary carboxylic acid amides Trialkylamines 1,2-aminoalcohols Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid amide - N-piperazineacetamide - Anilide - Phenoxy compound - Anisole - M-xylene - Xylene - Methoxybenzene - N-arylamide - Phenol ether - Alkyl aryl ether - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - 1,2-aminoalcohol - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Secondary carboxylic acid amide - Organoheterocyclic compound - Ether - Azacycle - Alcohol - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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

• Solubilité: Soluble in Chloroform, Dichloromethane and Methanol
• Point de fusion (°C): 113-1160°C (lit.)
• Poids moléculaire: 430.600 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 430.266 Da
• Monoisotopic Mass: 430.266 Da
• Topological Polar Surface Area: 74.300 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 531.000
• Isotope Atom Count: 3
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1