Carvedilol phosphate - 10mM in DMSO , CAS No.610309-89-2

CAS: 610309-89-2 Cat. No.: C425054 Fórmula: C₂₄H₂₆N₂O₄.H₃PO₄.0.5H₂O Peso molecular: 513.47 Número CE: 642-914-8

GRADE & PURITY 10mM in DMSO

Synonyms

Carvedilol phosphate|610309-89-2|Coreg CR|Carvedilol phosphate hemihydrate|Carvedilol dihydrogen phosphate hemihydrate|Carvedilol phosphate [USAN]|SKF 105517D|UNII-EQT531S367|EQT531S367|SK&F-105517-D|Carvedilol phosphate hydrate|1-(9H-carbazol-4-yloxy)-3-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Store at Room Temperature. The product can be stored for up to 12 months.

Specifications

Sinónimos

Carvedilol phosphate | 610309-89-2 | Coreg CR | Carvedilol phosphate hemihydrate | Carvedilol dihydrogen phosphate hemihydrate | Carvedilol phosphate [USAN] | SKF 105517D | UNII-EQT531S367 | EQT531S367 | SK&F-105517-D | Carvedilol phosphate hydrate | 1-(9H-carbazol-4-yloxy)-3-

Especificações e pureza

10mM in DMSO

Mecanismos bioquímicos e fisiológicos

Nonselective beta (β 1 , β 2 ) blocker and alpha (α 1 ) blocker. Inhibits LDL oxidation (IC 50 = 3.8 μM). Shows negative chronotropic effects in vivo. Moderately orally active.

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

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

Nomes e identificadores

Pubchem Sid

528774330

Sorrisos canónicos

COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O.COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O.O.OP(=O)(O)O.OP(=O)(O)O

IUPAC Name

1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;phosphoric acid;hydrate

InChIKey

LHNYXTULDSJZRB-UHFFFAOYSA-N

INCHI

1S/2C24H26N2O4.2H3O4P.H2O/c2*1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20;2*1-5(2,3)4;/h2*2-12,17,25-27H,13-16H2,1H3;2*(H3,1,2,3,4);1H2

SMILES isoméricas

COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O.COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O.O.OP(=O)(O)O.OP(=O)(O)O

Peso molecular

513.47

Reaxy-Rn

18525862

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18525862&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: Indoles Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Organic phosphoric acids and derivatives Pyrroles Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Carbazole - Indole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Organic phosphoric acid derivative - Benzenoid - Pyrrole - Heteroaromatic compound - Secondary alcohol - 1,2-aminoalcohol - Azacycle - Secondary amine - Secondary aliphatic amine - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - Amine - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
• 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: 1027.000 g/mol
• Hydrogen Bond Donor Count: 13
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 20
• Exact Mass: 1026.34 Da
• Monoisotopic Mass: 1026.34 Da
• Topological Polar Surface Area: 308.000 Ų
• Heavy Atom Count: 71
• Formal Charge: 0
• Complexity: 557.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 5

XLogP3