Cinchonine Sulfate
[CAS# 5949-16-6]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Quinoline compound
• Name: Cinchonine Sulfate
• Synonyms: 4-Quinolyl-(5-Vinylquinuclidin-1-Ium-2-Yl)Methanol Sulfate; 4-Quinolyl-(5-Vinyl-2-Quinuclidin-1-Iumyl)Methanol Sulfate; (5-Ethenyl-1-Azoniabicyclo[2.2.2]Octan-7-Yl)-Quinolin-4-Yl-Methanol Sulfate
• Molecular Formula: C₃₈H₄₆N₄O₆S
• Molecular Weight: 686.86
• CAS Registry Number: 5949-16-6
• EINECS: 227-708-4
• SMILES: O=[S]([O-])([O-])=O.C3=C(C(O)C1[NH+]2CC(C(C1)CC2)C=C)C4=C(N=C3)C=CC=C4.C7=C(C(O)C5[NH+]6CC(C(C5)CC6)C=C)C8=C(N=C7)C=CC=C8
• InChI: 1S/2C19H22N2O.H2O4S/c2*1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;1-5(2,3)4/h2*2-7,9,13-14,18-19,22H,1,8,10-12H2;(H2,1,2,3,4)
• InChIKey: WBBHOISPYYYBTC-UHFFFAOYSA-N

Properties

• Boiling point: 464.5°C at 760 mmHg (Cal.)
• Flash point: 234.7°C (Cal.)