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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
Basic Description
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
Action Type
AGONIST
Mechanism of action
Delta opioid receptor agonist
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
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
Description
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.
Names and Identifiers
IUPAC Name
N,N-diethyl-3-hydroxy-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide;hydrochloride
INCHI
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
InChIKey
XROFSGVHHSJMMG-UHFFFAOYSA-N
Smiles
CCN(CC)C(=O)C1=CC(=C(C=C1)C2=CC3(CCNCC3)OC4=CC=CC=C42)O.Cl
Isomeric SMILES
CCN(CC)C(=O)C1=CC(=C(C=C1)C2=CC3(CCNCC3)OC4=CC=CC=C42)O.Cl
PubChem CID
76967747
Molecular Weight
428.9
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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