Carteolol-d9hydrochloride , CAS No.1346602-13-8

CAS: 1346602-13-8 Cat. No.: C651673 Peso molecular: 337.89

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Carteolol-d 9 (hydrochloride) is the deuterium labeled Carteolol hydrochloride. Carteolol hydrochloride (OPC-1085 hydrochloride) is a non-selective beta blocker used to treat glaucoma.

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

Mecanismos bioquímicos y fisiológicos

Carteolol-d 9 (hydrochloride) is the deuterium labeled Carteolol hydrochloride. Carteolol hydrochloride (OPC-1085 hydrochloride) is a non-selective beta blocker used to treat glaucoma.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

ANTAGONIST

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)NCC(COC1=CC=CC2=C1CCC(=O)N2)O.Cl
• IUPAC Name: 5-[3-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
• InChIKey: FYBXRCFPOTXTJF-KYRNGWDOSA-N
• INCHI: 1S/C16H24N2O3.ClH/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13;/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20);1H/i1D3,2D3,3D3
• Isómeros SMILES: [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(COC1=CC=CC2=C1CCC(=O)N2)O.Cl
• Peso molecular: 337.89
• Reaxy-Rn: 5784965
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5784965&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass Quinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolones
• Alternative Parents: Hydroquinolines Phenol ethers Alkyl aryl ethers Secondary carboxylic acid amides Secondary alcohols Lactams Amino acids and derivatives 1,2-aminoalcohols Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetrahydroquinolone - Tetrahydroquinoline - Phenol ether - Alkyl aryl ether - Benzenoid - 1,2-aminoalcohol - Amino acid or derivatives - Carboxamide group - Lactam - Secondary alcohol - Secondary carboxylic acid amide - Ether - Secondary aliphatic amine - Carboxylic acid derivative - Secondary amine - Azacycle - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Hydrochloride - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group.
• 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