Cinchamidine - ≥98% , CAS No.485-64-3

CAS: 485-64-3 Cat. No.: C329614 Summenformel: C₁₉H₂₄N₂O Molekulargewicht: 296.41 EG-Nummer: 207-620-2

GRADE & PURITY ≥98%

Synonyms

(8alpha,9R)-10,11-Dihydrocinchonan-9-ol | E78977 | Hydrocinchonidine | WFJNHVWTKZUUTR-KODHJQJWSA-N | (-)-dihydrocinchonidine | DTXSID001315486 | (3R,8S,9R)-10,11-Dihydrocinchonidine | A,9R)-10,11-dihydro-Cinchonan-9-ol | Q27269695 | (8.ALPHA.,9R)-10,11-DI

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyme

(8alpha,9R)-10,11-Dihydrocinchonan-9-ol | E78977 | Hydrocinchonidine | WFJNHVWTKZUUTR-KODHJQJWSA-N | (-)-dihydrocinchonidine | DTXSID001315486 | (3R,8S,9R)-10,11-Dihydrocinchonidine | A,9R)-10,11-dihydro-Cinchonan-9-ol | Q27269695 | (8.ALPHA.,9R)-10,11-DI

Spezifikationen & Reinheit

≥98%

Storage

Protected from light,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504764331
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764331
• Kanonisches Lächeln: CCC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O
• IUPAC Name: (R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
• InChIKey: WFJNHVWTKZUUTR-KODHJQJWSA-N
• INCHI: 1S/C19H24N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h3-7,9,13-14,18-19,22H,2,8,10-12H2,1H3/t13-,14-,18-,19+/m0/s1
• Isomere SMILES: CC[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=CC=NC4=CC=CC=C34)O
• Molekulargewicht: 296.41
• Reaxy-Rn: 89137
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=89137&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Klasse Cinchona alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Klasse: Cinchona alkaloids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinchona alkaloids
• Alternative Parents: 4-quinolinemethanols Quinuclidines Aralkylamines Pyridines and derivatives Piperidines Benzenoids Heteroaromatic compounds Trialkylamines Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Cinchonan-skeleton - 4-quinolinemethanol - Quinoline - Quinuclidine - Aralkylamine - Piperidine - Pyridine - Benzenoid - Heteroaromatic compound - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Alcohol - Aromatic alcohol - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as cinchona alkaloids. These are alkaloids structurally characterized by the presence of the cinchonan skeleton, which consists of a quinoline linked to an azabicyclo[2.2.2]octane moiety.
• 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: light sensitive
• Molekulargewicht: 296.400 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 296.189 Da
• Monoisotopic Mass: 296.189 Da
• Topological Polar Surface Area: 36.400 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 388.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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

Häufig gestellte Fragen

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

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

The CAS Number is 485-64-3, the molecular formula is C19H24N2O, and the molecular weight is 296.41 g/mol. InChIKey WFJNHVWTKZUUTR-KODHJQJWSA-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.