Tebanicline tosylate , Neuronal acetylcholine receptor; alpha4/beta2 agonist, CAS No.198283-74-8, Neuronal acetylcholine receptor; alpha4/beta2 agonist

CAS: 198283-74-8 Cat. No.: T671060 Peso molecular: 370.9 PubChem CID: 9907432

Synonyms

Tebanicline tosylate | 5-(((R)-2-AZETIDNYL)METHOXY)-2-CHLOROPYRIDINE MONO-P-TOLUENESULPHONATE | 5-(((R)-2-Azetidnyl)methoxy)-2-chloropyridine mono-p-toluenesulfonate | CP1A26546Z | TEBANICLINE TOSYLATE [MI] | Tebanicline tosilate | PYRIDINE, 5-( (2R)-2-AZ

Storage

Room temperature

Specifications

Sinónimos

Tebanicline tosylate | 5-(((R)-2-AZETIDNYL)METHOXY)-2-CHLOROPYRIDINE MONO-P-TOLUENESULPHONATE | 5-(((R)-2-Azetidnyl)methoxy)-2-chloropyridine mono-p-toluenesulfonate | CP1A26546Z | TEBANICLINE TOSYLATE [MI] | Tebanicline tosilate | PYRIDINE, 5-( (2R)-2-AZ

Condiciones de almacenamiento de almacenamiento

Room temperature

Tipo de acción

AGONIST

Mecanismo de acción

Neuronal acetylcholine receptor; alpha4/beta2 agonist

Nombres e identificadores

• Sonrisas canónicas: CC1=CC=C(C=C1)S(=O)(=O)O.C1CNC1COC2=CN=C(C=C2)Cl
• IUPAC Name: 5-[[(2R)-azetidin-2-yl]methoxy]-2-chloropyridine;4-methylbenzenesulfonic acid
• InChIKey: JCPWIGCGJUGLJQ-OGFXRTJISA-N
• INCHI: 1S/C9H11ClN2O.C7H8O3S/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7;1-6-2-4-7(5-3-6)11(8,9)10/h1-2,5,7,11H,3-4,6H2;2-5H,1H3,(H,8,9,10)/t7-;/m1./s1
• Isómeros SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C1CN[C@H]1COC2=CN=C(C=C2)Cl
• PubChem CID: 9907432
• Peso molecular: 370.9

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzenesulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: p-Methylbenzenesulfonates
• Alternative Parents: Tosyl compounds Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Alkyl aryl ethers 2-halopyridines Aryl chlorides Sulfonyls Organosulfonic acids Heteroaromatic compounds Azetidines Dialkylamines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: P-methylbenzenesulfonate - Tosyl compound - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Toluene - Alkyl aryl ether - 2-halopyridine - Pyridine - Aryl chloride - Aryl halide - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Azetidine - Azacycle - Secondary aliphatic amine - Ether - Organoheterocyclic compound - Secondary amine - Organochloride - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position.
• 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