Licarbazepine-d4 , CAS No.1020719-39-4

CAS: 1020719-39-4 Cat. No.: L648115 Fórmula: C₁₅H₁₀D₄N₂O₂ Peso molecular: 258.31

Synonyms

HY-108506S1 | Licarbazepine-D4 | 10,11-Dihydro-10-hydroxy Carbamazepine-d4 | 10,11-Dihydro-10-hydroxycarbazepine-D4 (Major) | DTXSID30661926 | 1020719-39-4 | 10-Hydroxy(1,2,3,4-~2~H_4_)-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide | J-000590 | 5H-Di

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Licarbazepine-d 4 is the deuterium labeled Licarbazepine . Licarbazepine is a voltage-gated sodium channel blocker with anticonvulsant and mood-stabilizing effects.

In Vitro

Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Specifications

Sinónimos

HY-108506S1 | Licarbazepine-D4 | 10,11-Dihydro-10-hydroxy Carbamazepine-d4 | 10,11-Dihydro-10-hydroxycarbazepine-D4 (Major) | DTXSID30661926 | 1020719-39-4 | 10-Hydroxy(1,2,3,4-~2~H_4_)-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide | J-000590 | 5H-Di

Mecanismos bioquímicos e fisiológicos

Licarbazepine-d 4 is the deuterium labeled Licarbazepine ( HY-108506 ). Licarbazepine is a voltage-gated sodium channel blocker with anticonvulsant and mood-stabilizing effects.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Nomes e identificadores

Sorrisos canónicos

C1C(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N)O

IUPAC Name

1,2,3,4-tetradeuterio-6-hydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide

InChIKey

BMPDWHIDQYTSHX-DNZPNURCSA-N

INCHI

1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,14,18H,9H2,(H2,16,19)/i1D,3D,5D,7D

SMILES isoméricas

[2H]C1=C(C(=C2C(=C1[2H])CC(C3=CC=CC=C3N2C(=O)N)O)[2H])[2H]

Peso molecular

258.31

Reaxy-Rn

1540211

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1540211&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzazepines
      • Subclass Dibenzazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzazepines
• Subclass: Dibenzazepines
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzazepines
• Alternative Parents: Azepines Benzenoids Ureas Tertiary amines Secondary alcohols Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzazepine - Azepine - Benzenoid - Secondary alcohol - Tertiary amine - Urea - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as dibenzazepines. These are compounds with two benzene rings connected by an azepine ring. Azepine is an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom.
• 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

Propriedades químicas e físicas

• Peso molecular: 258.310 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 258.131 Da
• Monoisotopic Mass: 258.131 Da
• Topological Polar Surface Area: 66.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 347.000
• Isotope Atom Count: 4
• 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

Perguntas frequentes

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1020719-39-4, the molecular formula is C15H10D4N2O2, and the molecular weight is 258.31 g/mol. InChIKey BMPDWHIDQYTSHX-DNZPNURCSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.