Orm-12741 , Alpha-2c adrenergic receptor antagonist, CAS No.610782-82-6, Alpha-2c adrenergic receptor antagonist

CAS: 610782-82-6 Cat. No.: O671265 Peso molecular: 285.4 PubChem CID: 71301276

Synonyms

ORM-12741 | DB12057 | (1S,12bS)-1,3,4,6,7,12b-Hexahydro-1-(methoxymethyl)-1-methyl-2H-benzofuro[2,3-a]quinolizine | ORM12741 | C5D3YG7ZR8 | S900006170 | SCHEMBL22635928 | (1S,12bS)-1,3,4,6,7,12b-Hexahydro-1-(methoxymethyl)-1-methyl-2H-benzofuro(2,3-a)quin

Storage

Room temperature

Specifications

Sinónimos

ORM-12741 | DB12057 | (1S, 12bS)-1, 3, 4, 6, 7, 12b-Hexahydro-1-(methoxymethyl)-1-methyl-2H-benzofuro[2, 3-a]quinolizine | ORM12741 | C5D3YG7ZR8 | S900006170 | SCHEMBL22635928 | (1S, 12bS)-1, 3, 4, 6, 7, 12b-Hexahydro-1-(methoxymethyl)-1-methyl-2H-benzofuro(2, 3-a)quin

Condiciones de almacenamiento de almacenamiento

Room temperature

Tipo de acción

ANTAGONIST

Mecanismo de acción

Alpha-2c adrenergic receptor antagonist

Propiedades del producto

• ALogP: 3.3

Nombres e identificadores

• Sonrisas canónicas: CC1(CCCN2C1C3=C(CC2)C4=CC=CC=C4O3)COC
• IUPAC Name: (1S,12bS)-1-(methoxymethyl)-1-methyl-2,3,4,6,7,12b-hexahydro-[1]benzofuro[2,3-a]quinolizine
• InChIKey: OCUKPFWNSAAHRP-QZTJIDSGSA-N
• INCHI: 1S/C18H23NO2/c1-18(12-20-2)9-5-10-19-11-8-14-13-6-3-4-7-15(13)21-16(14)17(18)19/h3-4,6-7,17H,5,8-12H2,1-2H3/t17-,18-/m1/s1
• Isómeros SMILES: C[C@@]1(CCCN2[C@@H]1C3=C(CC2)C4=CC=CC=C4O3)COC
• PubChem CID: 71301276
• Peso molecular: 285.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzofurans
• Alternative Parents: Aralkylamines Piperidines Benzenoids Heteroaromatic compounds Furans Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzofuran - Aralkylamine - Piperidine - Benzenoid - Furan - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
• 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

Propiedades químicas y físicas

• Peso molecular: 285.400 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 285.173 Da
• Monoisotopic Mass: 285.173 Da
• Topological Polar Surface Area: 25.600 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 387.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1