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

CAS: 610309-89-2 Cat. No.: C425054 Formula: C₂₄H₂₆N₂O₄.H₃PO₄.0.5H₂O Peso molecolare: 513.47 Numero 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

Panoramica

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

Specifications

Sinonimi

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-

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

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.

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

• Pubchem Sid: 528774330
• Sorrisi canonici: 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
• Isomeri 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 molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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