Basic information
- CAS
1435-55-8- Standard SMILES
CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12- InChIKey
LJOQGZACKSYWCH-LHHVKLHASA-N- Molecular formula
- C20H26N2O2
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.19942808
Overview
Hydroquinidine is under investigation in clinical trial NCT00927732 (Hydroquinidine Versus Placebo in Patients With Brugada Syndrome).
Names & identifiers
- Preferred name
- Hydroquinidine
- IUPAC
- (S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
- English name
- Hydroquinidine
- Molecular formula
- C20H26N2O2
- Molecular weight
- 326.43
Names & synonyms
hydroquinidine1435-55-8Hydroconchinine(9S)-10,11-Dihydro-6'-methoxycinchonan-9-ol8P68XPY4HGNSC-757410DTXSID50862110LCN-834RefChem:923132DTXCID00820720(S)-((1S,2R,4S,5R)-5-ethyl-1-azabicyclo(2.2.2)octan-2-yl)(6-methoxyquinolin-4-yl)methanol215-862-5
Show more names
DHQDDIHYDROQUINIDINEaluminum triacetateHydroxyquinidineDihydroquinidine,99%d.e.(9s)-10,11-dihydro-6’-methoxycinchonan-9-ol(S)-((1S,2R,4S,5R)-5-ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methanolHydroqninidine
Hydroconquinine(+)-Dihydroquinidine10,11-DihydroquinidineDihydrochinidinMFCD00135599Dihydroquinine(1S)-((2R,4S,5R)-5-Ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methanolACon1_001481
Database identifiers
- CAS
1435-55-8- PubChem CID
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 432
Experimental & physicochemical properties
DrugsPharmaceutical
Collision Cross Section
174.21 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
176.7 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 169 · 169-170 °C(lit.)
- alpha
- 226 · 226 º (C=2 IN ETOH)
- Boiling point
- 464.47 °C · 464.47°C (rough estimate)
- Density
- 1.1117 · 1.1117 (rough estimate)
- refractive index
- 1.68 · 1.6800 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- 0.1 g/mL, · chloroform: 0.1 g/mL, clear
- form
- A crystalline solid
- pka
- 12.8 · 12.80±0.20(Predicted)
- color
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Safety data
- wgk
- 3
- rtecs
- MX3016000
- ridadr
- 1544
- hs_code
- 29339900
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36/37-36
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Pharmacology
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
MeSH Pharmacological Classification
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.
Applications
Usesantiarrhythmic, antimalarial
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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