Magnoflorine chloride - ≥96% , CAS No.6681-18-1

CAS: 6681-18-1 Cat. No.: M414358 Peso molecular: 377.86 Número EC: 111-770-3

GRADE & PURITY ≥96%

Synonyms

MS-26159 | (6aS)-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1,11-diol;chloride | Thalictrine chloride | 6a-alpha-APORPHINIUM, 1,11-DIHYDROXY-2,10-DIMETHOXY-6-METHYL-, CHLORIDE | Magnoflorine, chloride | Escholine chlori

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

Magnoflorine (Escholine, Thalictrine, Corytuberine methochloride), isolated from the rhizome of Sinomenium acutum and from Pachygone ovata, is usually used as an anxiolytic chemical with anti-oxidant, α-tyrosinase inhibitory and anti-inflammationary activities.

Specifications

Sinónimos

MS-26159 | (6aS)-2, 10-dimethoxy-6, 6-dimethyl-5, 6, 6a, 7-tetrahydro-4H-dibenzo[de, g]quinolin-6-ium-1, 11-diol;chloride | Thalictrine chloride | 6a-alpha-APORPHINIUM, 1, 11-DIHYDROXY-2, 10-DIMETHOXY-6-METHYL-, CHLORIDE | Magnoflorine, chloride | Escholine chlori

Especificaciones y pureza

≥96%

Mecanismos bioquímicos y fisiológicos

Magnoflorine (Escholine, Thalictrine, Corytuberine methochloride), isolated from the rhizome of Sinomenium acutum and from Pachygone ovata, is usually used as an anxiolytic chemical with anti-oxidant, α-tyrosinase inhibitory and anti-inflammationary activ

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 488182807
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182807
• Sonrisas canónicas: C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C.[Cl-]
• IUPAC Name: (6aS)-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1,11-diol;chloride
• InChIKey: STVJLBTYWBXDBP-ZOWNYOTGSA-N
• INCHI: 1S/C20H23NO4.ClH/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18;/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23);1H/t13-;/m0./s1
• Isómeros SMILES: C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C.[Cl-]
• Peso molecular: 377.86
• Reaxy-Rn: 6563579
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6563579&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Clase Aporphines

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Clase: Aporphines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Aporphines
• Alternative Parents: Phenanthrenes and derivatives Benzoquinolines Naphthols and derivatives Tetrahydroisoquinolines Anisoles Aralkylamines Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Tetraalkylammonium salts Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aporphine - Benzoquinoline - Phenanthrene - 1-naphthol - Naphthalene - Quinoline - Tetrahydroisoquinoline - Anisole - Aralkylamine - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Tetraalkylammonium salt - Quaternary ammonium salt - Organoheterocyclic compound - Azacycle - Ether - Organic chloride salt - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Amine - Organic zwitterion - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aporphines. These are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system or a dehydrogenated derivative thereof.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 76 mg/mL (201.13 mM)
• Peso molecular: 377.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 377.139 Da
• Monoisotopic Mass: 377.139 Da
• Topological Polar Surface Area: 58.900 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 498.000
• 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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