Carvedilol phosphate , Adrenergic receptor alpha-1 antagonist, CAS No.374779-45-0, Adrenergic receptor alpha-1 antagonist

CAS: 374779-45-0 Cat. No.: C671046 Molecular Weight: 504.5 PubChem CID: 9827459

Synonyms

Carvedilol phosphate | CCG-213312 | (2RS)-1-(9H-Carbazol-4-yloxy)-3-((2-(2-methoxyphenoxy)ethyl)amino)propan-2-ol phosphate salt (1:1) | 15DX7Y16JB | SCHEMBL194220 | UNII-15DX7Y16JB | Q27251720 | Carloc | 2-Propanol, 1-(9H-carbazol-4-yloxy)-3-((2-(2-metho

Storage

Room temperature

Specifications

Synonyms

Carvedilol phosphate | CCG-213312 | (2RS)-1-(9H-Carbazol-4-yloxy)-3-((2-(2-methoxyphenoxy)ethyl)amino)propan-2-ol phosphate salt (1:1) | 15DX7Y16JB | SCHEMBL194220 | UNII-15DX7Y16JB | Q27251720 | Carloc | 2-Propanol, 1-(9H-carbazol-4-yloxy)-3-((2-(2-metho

Storage

Room temperature

Action Type

ANTAGONIST

Mechanism of action

Adrenergic receptor alpha-1 antagonist

Names and Identifiers

• Canonical Smiles: COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O.OP(=O)(O)O
• IUPAC Name: 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;phosphoric acid
• InChIKey: XCPXNPBILMXKNX-UHFFFAOYSA-N
• INCHI: 1S/C24H26N2O4.H3O4P/c1-28-21-10-4-5-11-22(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;1-5(2,3)4/h2-12,17,25-27H,13-16H2,1H3;(H3,1,2,3,4)
• Isomeric SMILES: COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O.OP(=O)(O)O
• PubChem CID: 9827459
• Molecular Weight: 504.5

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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: Aromatic heteropolycyclic compounds
• 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
• Description: 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