Quininone - ≥97% , CAS No.84-31-1

CAS: 84-31-1 Cat. No.: Q275883 Formule: C₂₀H₂₂N₂O₂ Poids moléculaire: 322.4 PubChem CID: 10969332

GRADE & PURITY ≥97%

Synonyms

(8alpha)-6'-Methoxycinchonan-9-one | SCHEMBL2894266 | EINECS 201-524-4 | Cinchonan-9-one, 6'-methoxy-, (8alpha)- | QUININONE [MI] | ICQ-15 | NSC-15307 | NSC 15307 | QUININONE [USP-RS] | [(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinol

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Vue d’ensemble

Specifications

Synonymes

(8alpha)-6'-Methoxycinchonan-9-one | SCHEMBL2894266 | EINECS 201-524-4 | Cinchonan-9-one, 6'-methoxy-, (8alpha)- | QUININONE [MI] | ICQ-15 | NSC-15307 | NSC 15307 | QUININONE [USP-RS] | [(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinol

Spécifications et pureté

≥97%

Mécanismes biochimiques et physiologiques

Quinine metabolite. Oxidoreductase substrate. Enhances antibody binding to platelets. Shows antimalarial effects in vivo.

Conditions de stockage de stockage

Store at 2-8°C,Desiccated

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 504765810
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765810
• Sourires canoniques: COC1=CC2=C(C=CN=C2C=C1)C(=O)C3CC4CCN3CC4C=C
• IUPAC Name: [(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanone
• InChIKey: SRFCUPVBYYAMIL-NJSLBKSFSA-N
• INCHI: 1S/C20H22N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19H,1,7,9-10,12H2,2H3/t13-,14-,19-/m0/s1
• Isomères SMILES: COC1=CC2=C(C=CN=C2C=C1)C(=O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C
• PubChem CID: 10969332
• Poids moléculaire: 322.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: Quinuclidines Aryl alkyl ketones Anisoles Alkyl aryl ethers Pyridines and derivatives Piperidines Heteroaromatic compounds Alpha-amino ketones Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Anisole - Phenol ether - Quinuclidine - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Benzenoid - Pyridine - Piperidine - Heteroaromatic compound - Alpha-aminoketone - Tertiary aliphatic amine - Tertiary amine - Ketone - Azacycle - Ether - Organonitrogen compound - Amine - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• 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

• Solubilité: Soluble in ethanol
• Point de fusion (°C): 96-101°C
• Poids moléculaire: 322.400 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 322.168 Da
• Monoisotopic Mass: 322.168 Da
• Topological Polar Surface Area: 42.400 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 494.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 84-31-1, the molecular formula is C20H22N2O2, and the molecular weight is 322.4 g/mol. InChIKey SRFCUPVBYYAMIL-NJSLBKSFSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.