Soquinolol , CAS No.61563-18-6

CAS: 61563-18-6 Cat. No.: S1056716 Summenformel: C₁₇H₂₆N₂O₃ Molekulargewicht: 306.400 EG-Nummer: EINECS262-844-8

Storage

Room temperature

Specifications

Storage

Room temperature

Aktionsart

ANTAGONIST

Namen und Kennungen

• Kanonisches Lächeln: CC(C)(C)NCC(COC1=CC=CC2=C1CCN(C2)C=O)O
• IUPAC Name: 5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
• InChIKey: GMJHUSJLZXFFQJ-UHFFFAOYSA-N
• INCHI: 1S/C17H26N2O3/c1-17(2,3)18-9-14(21)11-22-16-6-4-5-13-10-19(12-20)8-7-15(13)16/h4-6,12,14,18,21H,7-11H2,1-3H3
• Molekulargewicht: 306.400

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Tetrahydroisoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Tetrahydroisoquinolines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrahydroisoquinolines
• Alternative Parents: Alkyl aryl ethers Benzenoids Tertiary carboxylic acid amides Secondary alcohols Amino acids and derivatives 1,2-aminoalcohols Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetrahydroisoquinoline - Alkyl aryl ether - Benzenoid - Tertiary carboxylic acid amide - 1,2-aminoalcohol - Amino acid or derivatives - Carboxamide group - Secondary alcohol - Carboxylic acid derivative - Azacycle - Secondary amine - Secondary aliphatic amine - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Amine - Organic oxygen compound - Alcohol - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 306.400 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 306.194 Da
• Monoisotopic Mass: 306.194 Da
• Topological Polar Surface Area: 61.800 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 356.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.