Salsolinol hydrobromide - ≥95% , CAS No.38221-21-5

CAS: 38221-21-5 Cat. No.: S1326202 PubChem CID: 6419979

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

• Sourires canoniques: CC1C2=CC(=C(C=C2CCN1)O)O.Br
• IUPAC Name: (1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide
• InChIKey: OGMGXKJQIOUTTB-RGMNGODLSA-N
• INCHI: 1S/C10H13NO2.BrH/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6;/h4-6,11-13H,2-3H2,1H3;1H/t6-;/m0./s1
• Isomères SMILES: C[C@H]1C2=CC(=C(C=C2CCN1)O)O.Br
• CAS alternatif: 38221-21-5
• PubChem CID: 6419979
• Termes d'entrée MeSH: 1-methyl-6,7-dihydroxytetrahydroisoquinoline;salsolinol;salsolinol hydrobromide;salsolinol, (+-)-isomer;salsolinol, (S)-isomer

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Tetrahydroisoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Tetrahydroisoquinolines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrahydroisoquinolines
• Alternative Parents: Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Dialkylamines Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Hydrobromides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetrahydroisoquinoline - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Benzenoid - Secondary aliphatic amine - Secondary amine - Azacycle - Amine - Hydrobromide - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 260.130 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 259.021 Da
• Monoisotopic Mass: 259.021 Da
• Topological Polar Surface Area: 52.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 186.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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: 2

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