Cinchonine sulphate

Base Information

• Chemical Name: Cinchonine sulphate
• CAS No.: 5949-16-6
• Molecular Formula: C38H46N4O6S
• Molecular Weight: 392.46
• Hs Code.: 29392000
• European Community (EC) Number: 227-708-4
• UNII: 342JR840KF
• ChEMBL ID: CHEMBL2105783
• NCI Thesaurus Code: C75266
• Wikidata: Q27256319
• Mol file: 5949-16-6.mol

Synonyms:Cinchonine sulfate;5949-16-6;Cinchonine sulphate;Cinchonine hemisulfate salt;CINCHONINE, SULFATE (2:1) (salt);Anhydrous cinchonine sulfate;Cinchonine sulfate anhydrous;Cinchonine sulfate, anhydrous;342JR840KF;Cinchonan-9-ol, (9S)-, sulfate (2:1) (salt);CINCHONINE, SULPHATE (2:1) (SALT);(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;sulfuric acid;cinchonine hemisulfate;Cinchonine sulfate [NF];UNII-342JR840KF;EINECS 227-708-4;Cinchoninum sulphuricum;(+)-CINCONINE SULFATE;(+)-CINCONINE SULPHATE;CHEMBL2105783;CINCHONINE SULFATE [WHO-DD];CINCHONINUM SULPHURICUM [HPUS];BS-44076;D-CINCHONINE, SULFATE (2:1) (SALT);Cinchonine hemisulfate salt, analytical standard;D-CINCHONINE, SULPHATE (2:1) (SALT);(8R,9S)-CINCHONINE, SULFATE (2:1) (SALT);(8R,9S)-CINCHONINE, SULPHATE (2:1) (SALT);Q27256319;CINCHONAN-9-OL, (9S)-, SULPHATE (2:1) (SALT);(S)-Quinolin-4-yl((1S,2R,4S,5R)-5-vinylquinuclidin-2-yl)methanol hemisulfate;2-QUINUCLIDINEMETHANOL, .ALPHA.-(5-VINYL-2-QUINOLYL)-, SULFATE (2:1) (SALT);2-QUINUCLIDINEMETHANOL, .ALPHA.-(5-VINYL-2-QUINOLYL)-, SULPHATE (2:1) (SALT)

Chemical Property of Cinchonine sulphate

Chemical Property:

• Melting Point: 38-40°C(lit.)
• Refractive Index: 1.717
• Boiling Point: 464.5 °C at 760 mmHg
• Flash Point: 234.7 °C
• PSA: 155.70000
• Density: 1.61g/cm3
• LogP: 6.63300
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: Aqueous Acid (Slightly), Ethanol (Sparingly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 686.31380637
• Heavy Atom Count: 49
• Complexity: 494

Purity/Quality:

98%,99%, ^*data from raw suppliers

Cinchonine hemisulfate salt ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O.C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O.OS(=O)(=O)O
• Isomeric SMILES: C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=CC=NC4=CC=CC=C34)O.C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=CC=NC4=CC=CC=C34)O.OS(=O)(=O)O
• Uses: Cinchonine Hemisulfate Salt causes a complete cardioinhibitory effect of vagus stimulation in dogs; Cinchona alkaloids.