(-)-Dihydroquinine

HCID 121515

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Grundinformationen

CAS: 23495-98-9
Standard-SMILES: CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12
InChIKey: LJOQGZACKSYWCH-WZBLMQSHSA-N
Summenformel: C20H26N2O2
Durchschnittliche Molmasse: 326,4 g/mol
Monoisotopische Masse: 326,19942808

Namen und Bezeichner

Bevorzugter Name: (-)-Dihydroquinine
IUPAC: (R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol

Namen und Synonyme

HYDROQUININE522-66-7(-)-Dihydroquinine10,11-dihydroquinine(-)-hydroquinine(-)-10,11-dihydroquinineDTXSID7087851631J3Q51T6LNSC-41799Cinchonan-9-ol, 10,11-dihydro-6'-methoxy-, (8alpha,9R)-RefChem:147104DTXCID301016562

Weitere Namen anzeigen

(R)-((1S,2S,4S,5R)-5-ethyl-1-azabicyclo(2.2.2)octan-2-yl)(6-methoxyquinolin-4-yl)methanol208-334-0Dihydroquinine(1R)-((2S,4S,5R)-5-Ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methanolMFCD00151107C20H26N2O2NSC 41799Quinine Sulfate EP Impurity C

Datenbank-Bezeichner

CAS: 23495-98-9、522-66-7
PubChem CID: 121515
DTXSID: DTXSID70878516
ChEMBL: CHEMBL588934
ChEBI: CHEBI:135994
UNII: 31J3Q51T6L
EC Number: 208-334-0
Nikkaji: J6.625G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 45,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 4
Schwere Atome: 24
Formalladung: 0
Komplexität: 432

Experimentelle und physikochemische Eigenschaften

Physical DescriptionSolid; [Merck Index] Beige powder; [Sigma-Aldrich MSDS]

Collision Cross Section · 1 Eintrag

177.09 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；175.29 Å² [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；170.4 Å² [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；174.69 Å² [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)；Eye Irrit. 2 (97.6%)；STOT SE 3 (95.1%)

Chemie und Industrie

Pharmakologische Informationen

ATC Code · 2 Einträge

M - Musculo-skeletal system；M09 - Other drugs for disorders of the musculo-skeletal system；M09A - Other drugs for disorders of the musculo-skeletal system；M09AA - Quinine and derivatives；M09AA01 - Hydroquinine

QM - Musculo-skeletal system；QM09 - Other drugs for disorders of the musculo-skeletal system；QM09A - Other drugs for disorders of the musculo-skeletal system；QM09AA - Quinine and derivatives；QM09AA01 - Hydroquinine

MeSH Pharmacological Classification · 2 Einträge

Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.

Agents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS.