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

CAS: 6681-18-1 Cat. No.: M414358 Molecular Weight: 377.86 EC Number: 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

Overview

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

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

Specifications & Purity

≥96%

Biochemical and Physiological Mechanisms

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 488182807
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182807
• Canonical Smiles: 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
• Isomeric SMILES: C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C.[Cl-]
• Molecular Weight: 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
    • Class Aporphines

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 76 mg/mL (201.13 mM)
• Molecular Weight: 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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