Benzamide, N,N-diethyl-3-hydroxy-4-spiro(2H-1-benzopyran-2,4'-piperidin)-4-yl-, hydrochloride (1:1) , Delta opioid receptor agonist, CAS No.1187653-56-0, Delta opioid receptor agonist

CAS: 1187653-56-0 Cat. No.: B671296 Peso molecular: 428.9 PubChem CID: 76967747

Synonyms

ADL-5747 | CHEMBL4297345 | Benzamide, N,N-diethyl-3-hydroxy-4-spiro(2H-1-benzopyran-2,4'-piperidin)-4-yl-, hydrochloride (1:1) | Q27253870 | ADL-5747 (HCl) | 24QBI4WA54 | AKOS040747770 | UNII-24QBI4WA54

Storage

Room temperature

Specifications

Sinónimos

ADL-5747 | CHEMBL4297345 | Benzamide, N, N-diethyl-3-hydroxy-4-spiro(2H-1-benzopyran-2, 4'-piperidin)-4-yl-, hydrochloride (1:1) | Q27253870 | ADL-5747 (HCl) | 24QBI4WA54 | AKOS040747770 | UNII-24QBI4WA54

Condiciones de almacenamiento de almacenamiento

Room temperature

Tipo de acción

AGONIST

Mecanismo de acción

Delta opioid receptor agonist

Nombres e identificadores

• Sonrisas canónicas: CCN(CC)C(=O)C1=CC(=C(C=C1)C2=CC3(CCNCC3)OC4=CC=CC=C42)O.Cl
• IUPAC Name: N,N-diethyl-3-hydroxy-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide;hydrochloride
• InChIKey: XROFSGVHHSJMMG-UHFFFAOYSA-N
• INCHI: 1S/C24H28N2O3.ClH/c1-3-26(4-2)23(28)17-9-10-18(21(27)15-17)20-16-24(11-13-25-14-12-24)29-22-8-6-5-7-19(20)22;/h5-10,15-16,25,27H,3-4,11-14H2,1-2H3;1H
• Isómeros SMILES: CCN(CC)C(=O)C1=CC(=C(C=C1)C2=CC3(CCNCC3)OC4=CC=CC=C42)O.Cl
• PubChem CID: 76967747
• Peso molecular: 428.9

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Neoflavonoids
      • Subclass Neoflavenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Neoflavonoids
• Subclass: Neoflavenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Neoflavenes
• Alternative Parents: 1-benzopyrans Benzamides Benzoyl derivatives Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Piperidines Tertiary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Neoflavene - Benzopyran - 1-benzopyran - Benzamide - Benzoic acid or derivatives - Benzoyl - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Piperidine - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Ether - Organic oxygen compound - Hydrochloride - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as neoflavenes. These are neoflavonoids with a structure based on a 4-phenylchromene skeleton.
• 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