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

CAS: 610309-89-2 Cat. No.: C425054 Peso molecular: 513.47 Número EC: 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

Descripción general

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-

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y 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.

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: 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
    • Clase Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y 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

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