Basic information
- CAS
86-80-6- Standard SMILES
CCCCc1cc2ccccc2c(OCCN(C)C)n1- InChIKey
XNMYNYSCEJBRPZ-UHFFFAOYSA-N- Molecular formula
- C17H24N2O
- Average molar mass
- 272.4 g/mol
- Monoisotopic mass
- 272.18886339
Overview
2-[(3-butyl-1-isoquinolinyl)oxy]-N,N-dimethylethanamine is a member of isoquinolines.
Names & identifiers
- Preferred name
- Quinisocaine
- IUPAC
- 2-(3-butylisoquinolin-1-yl)oxy-N,N-dimethylethanamine
- English name
- quinisocaine
- Molecular formula
- C17H24N2O
- Molecular weight
- 272.39
Names & synonyms
DimethisoquinQuinisocaine86-80-6QuinisocainaQuinisocainum2-(3-butylisoquinolin-1-yl)oxy-N,N-dimethylethanamineNSC-39695772EN3BH6I3-Butyl-1-(2-dimethylaminoethoxy)isoquinolineEthanamine, 2-((3-butyl-1-isoquinolinyl)oxy)-N,N-dimethyl-DTXSID8048525Ethanamine, 2-[(3-butyl-1-isoquinolinyl)oxy]-N,N-dimethyl-
Show more names
3-Butyl-1-[2-(dimethylamino)ethoxy]isoquinoline{2-[(3-butylisoquinolin-1-yl)oxy]ethyl}dimethylamine2-[(3-Butyl-1-isoquinolyl)oxy]-N,N-dimethylethanamine
RefChem:134179DTXCID9027990D04AB05201-700-0HistadermePruralganPruralginQuinisocain
Database identifiers
- CAS
86-80-6- PubChem CID
- 6857
- DTXSID
DTXSID8048525- ChEMBL
CHEMBL127643- ChEBI
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 25.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 270
Experimental & physicochemical properties
DrugsPharmaceuticals
Human DrugsPharmaceuticals
Physicochemical properties
- Melting point
- 146 °C · 146°C
- Boiling point
- 3 · bp3 155-157°
- Density
- 0.9848 · 0.9848 (rough estimate)
- refractive index
- 20 · nD20 1.5486
- pka
- 6.3 · pKa 6.30 (Uncertain)
- FDA UNII
- 772 EN3BH6I · 772EN3BH6I
- ATC code
- 4 AB05 · D04AB05
Chemistry & industry
Pharmacology
ATC Code
D - Dermatologicals
QD - Dermatologicals
MeSH Pharmacological Classification
Drugs that block nerve conduction when applied locally to nerve tissue in appropriate concentrations. They act on any part of the nervous system and on every type of nerve fiber. In contact with a nerve trunk, these anesthetics can cause both sensory and motor paralysis in the innervated area. Their action is completely reversible. (From Gilman AG, et. al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 8th ed) Nearly all local anesthetics act by reducing the tendency of voltage-dependent sodium channels to activate.
Uses & manufacturing
UsesUse (kg; approx.) in Germany (2009): >10
Use ClassificationPharmaceuticals
Upstream & downstream products
Upstream raw materials
Suppliers3 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
Related reactions
1 records
Compound notes
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