Quinine Salicylate

Base Information

• Chemical Name: Quinine Salicylate
• CAS No.: 750-90-3
• Molecular Formula: C27H30N2O5
• Molecular Weight: 462.54
• European Community (EC) Number: 212-027-7
• UNII: 6DY04L71DR
• DSSTox Substance ID: DTXSID40996498
• ChEMBL ID: CHEMBL2146084
• Mol file: 750-90-3.mol

Synonyms:Quinine Salicylate;750-90-3;Quinine, monosalicylate;Chininum salicylicum;Quinine salicylate [NF];UNII-6DY04L71DR;6DY04L71DR;EINECS 212-027-7;(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;2-hydroxybenzoic acid;2,5-dichloro-4-{4-[(e)-(4-dodecylphenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl}benzenesulfonic acid;C20H24N2O2.C7H6O3;C20-H24-N2-O2.C7-H6-O3;SCHEMBL25526;Quinine monosalicylate (salt);CHEMBL2146084;DTXSID40996498;Cinchonan-9-ol, 6'-methoxy-, (8.alpha.,9R)-, mono(2-hydroxybenzoate) (salt);CHININUM SALICYLICUM [HPUS];QUININE SALICYLATE [WHO-DD];Q27264609;2-Hydroxybenzoic acid--6'-methoxycinchonan-9-ol (1/1);CINCHONAN-9-OL, 6'-METHOXY-, (8.ALPHA.,9R)-, 2-HYDROXYBENZOATE (1:1);(R)-(6-methoxyquinolin-4-yl)((2S,4S,5R)-5-vinylquinuclidin-2-yl)methanol 2-hydroxybenzoate;(R)-[(4S,5R,7S)-5-Ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol

Chemical Property of Quinine Salicylate

Chemical Property:

• Vapor Pressure: 1.19E-10mmHg at 25°C
• Melting Point: 195°C
• Refractive Index: 1.5300 (estimate)
• Boiling Point: 495.9°C at 760 mmHg
• Flash Point: 253.7°C
• PSA: 103.12000
• Density: 1.2292 (rough estimate)
• LogP: 4.20150
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 462.21547206
• Heavy Atom Count: 34
• Complexity: 590

Purity/Quality:

97% ^*data from raw suppliers

6-METHOXYCINCHONINE SALICYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.C1=CC=C(C(=C1)C(=O)O)O
• Isomeric SMILES: COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.C1=CC=C(C(=C1)C(=O)O)O