Quininone - ≥97% , CAS No.84-31-1

CAS: 84-31-1 Cat. No.: Q275883 분자식: C₂₀H₂₂N₂O₂ 분자량: 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

개요

Specifications

동의어

(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

사양 및 순도

≥97%

생화학 및 생리적 메커니즘

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

보관 조건

Store at 2-8°C,Desiccated

배송

Wet ice

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참고

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.

순수함

≥97%

이름과 식별자

• Pubchem Sid: 504765810
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765810
• 정식 스마일: 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
• 이성체 SMILES: COC1=CC2=C(C=CN=C2C=C1)C(=O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C
• PubChem CID: 10969332
• 분자량: 322.4

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Soluble in ethanol
• 녹는점(°C): 96-101°C
• 분자량: 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