Hydroquinidine - 10mM in DMSO , CAS No.1435-55-8

CAS: 1435-55-8 Cat. No.: H421605 Fórmula: C₂₀H₂₆N₂O₂ Peso molecular: 326.43 Beilstein Registry Number: 91441 Número CE: 215-862-5

GRADE & PURITY 10mM in DMSO

Synonyms

hydroquinidine|Dihydroquinidine|1435-55-8|Hydroconquinine|Hydroconchinine|Dihydroquinine|(+)-hydroquinidine|(9S)-10,11-Dihydro-6'-methoxycinchonan-9-ol|8P68XPY4HG|Dihydrochinidin|10,11-Dihydroquinidine|MFCD00135599|Cinchonan-9-ol, 10,11-dihydro-6'-methoxy

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

hydroquinidine | Dihydroquinidine | 1435-55-8 | Hydroconquinine | Hydroconchinine | Dihydroquinine | (+)-hydroquinidine | (9S)-10,11-Dihydro-6'-methoxycinchonan-9-ol | 8P68XPY4HG | Dihydrochinidin | 10,11-Dihydroquinidine | MFCD00135599 | Cinchonan-9-ol, 10,11-dihydro-6'-methoxy

Especificações e pureza

10mM in DMSO

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

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

Nomes e identificadores

• Pubchem Sid: 528772452
• Sorrisos canónicos: CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)O
• IUPAC Name: (S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
• InChIKey: LJOQGZACKSYWCH-LHHVKLHASA-N
• INCHI: 1S/C20H26N2O2/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/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3/t13-,14-,19+,20-/m0/s1
• SMILES isoméricas: CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)O
• WGK Alemanha: 3
• RTECS: MX3016000
• Peso molecular: 326.43
• Beilstein: 91441
• Reaxy-Rn: 91438
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=91438&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Classe: Cinchona alkaloids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinchona alkaloids
• Alternative Parents: 4-quinolinemethanols Quinuclidines Anisoles Aralkylamines Alkyl aryl ethers Pyridines and derivatives Piperidines Heteroaromatic compounds Trialkylamines Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Cinchonan-skeleton - 4-quinolinemethanol - Quinoline - Anisole - Quinuclidine - Alkyl aryl ether - Aralkylamine - Piperidine - Pyridine - Benzenoid - Heteroaromatic compound - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Ether - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Amine - Alcohol - Organic oxygen compound - Aromatic alcohol - Aromatic heteropolycyclic compound
• Descrição: 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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 169-170°C
• Peso molecular: 326.400 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 326.199 Da
• Monoisotopic Mass: 326.199 Da
• Topological Polar Surface Area: 45.600 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 432.000
• 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

Referências

1. Kim Baekmin Q., Lee Jaehong, Kim Hanul, Kim Subeen, Lee Kyoungmun, Koh Dong-Yeun, Choi Siyoung Q..  (2025)  Dual path biphasic column for highly selective and ultrafast organic solvent membrane extraction.  Nature Communications,  16  (1): (1-11).  [PMID:40651989] [10.1038/s41467-025-61777-z]

2. Dongsheng Xu, Elena Sánchez-López, Qiqin Wang, Zhengjin Jiang, María Luisa Marina.  (2019)  Determination of l-norvaline and l-tryptophan in dietary supplements by nano-LC using an O-[2-(methacryloyloxy)-ethylcarbamoyl]-10,11-dihydroquinidine-silica hybrid monolithic column.  Journal of Pharmaceutical Analysis,      [PMID:32123601] [10.1016/j.jpha.2019.10.001]