N-Desmethyl Galanthamine - ≥95% , CAS No.41303-74-6

CAS: 41303-74-6 Cat. No.: N334810 Fórmula: C₁₆H₁₉NO₃ Peso molecular: 273.33 Número CE: 684-869-7

GRADE & PURITY ≥95%

Synonyms

2BPQ4IVQ21 | Stephaoxocanidine derivative | (4AS,6R,8AS)-3-METHOXY-5,6,9,10,11,12-HEXAHYDRO-4AH-(1)BENZOFURO(3A,3,2-EF)(2)BENZAZEPIN-6-OL | MS-23881 | N-Norgalanthamine | N-Desmethyl galantamine | GALANTAMINE HYDROBROMIDE IMPURITY, N-DESMETHYLGALANTAMINE-

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

N-Desmethyl Galanthamine is a metabolite of Galanthamine, a selective acetylcholinesterase inhibitor.

Specifications

Sinónimos

2BPQ4IVQ21 | Stephaoxocanidine derivative | (4AS,6R,8AS)-3-METHOXY-5,6,9,10,11,12-HEXAHYDRO-4AH-(1)BENZOFURO(3A,3,2-EF)(2)BENZAZEPIN-6-OL | MS-23881 | N-Norgalanthamine | N-Desmethyl galantamine | GALANTAMINE HYDROBROMIDE IMPURITY, N-DESMETHYLGALANTAMINE-

Especificações e pureza

≥95%

Mecanismos bioquímicos e fisiológicos

N-Desmethyl Galanthamine is a metabolite of Galanthamine. Galanthamine is a potent acetylcholinesterase (AChE) inhibitor with an IC50 of 500 nM.

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

528766045

Sorrisos canónicos

COC1=C2C3=C(CNCCC34C=CC(CC4O2)O)C=C1

IUPAC Name

(1S,12S,14R)-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol

InChIKey

AIXQQSTVOSFSMO-RBOXIYTFSA-N

INCHI

1S/C16H19NO3/c1-19-12-3-2-10-9-17-7-6-16-5-4-11(18)8-13(16)20-15(12)14(10)16/h2-5,11,13,17-18H,6-9H2,1H3/t11-,13-,16-/m0/s1

SMILES isoméricas

COC1=C2C3=C(CNCC[C@]34C=C[C@@H](C[C@@H]4O2)O)C=C1

Peso molecular

273.33

Reaxy-Rn

50764823

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=50764823&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Classe Amaryllidaceae alkaloids
      • Subclass Galanthamine-type amaryllidaceae alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Classe: Amaryllidaceae alkaloids
• Subclass: Galanthamine-type amaryllidaceae alkaloids
• Intermediate Tree Nodes: Not available
• Direct Parent: Galanthamine-type amaryllidaceae alkaloids
• Alternative Parents: Benzazepines Coumarans Anisoles Azepines Aralkylamines Alkyl aryl ethers Secondary alcohols Oxacyclic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Galanthamine-type amaryllidaceae alkaloid - Benzazepine - Coumaran - Anisole - Alkyl aryl ether - Azepine - Aralkylamine - Benzenoid - Secondary alcohol - Secondary aliphatic amine - Ether - Oxacycle - Secondary amine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as galanthamine-type amaryllidaceae alkaloids. These are amaryllidaceae alkaloids with a structure characterized a tetracyclic skeleton with two ortho aromatic protons in ring A.
• External Descriptors: Isoquinoline alkaloids

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 ação

Propriedades químicas e físicas

• Solubilidade: Souluble in dichloromethane, ethyl acetate and methanol.
• Sensibilidade: Light sensitive
• Ponto de fusão (°C): >135°C (lit.)(dec.)
• Peso molecular: 273.330 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 273.136 Da
• Monoisotopic Mass: 273.136 Da
• Topological Polar Surface Area: 50.700 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 413.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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