Cinchonine

• Catalog Number: ACM118105
• Product Name: Cinchonine
• CAS: 118-10-5
• Category: Inhibitors
• Description: Cinchonine is a natural compound present in Cinchona bark. Cinchonine activates endoplasmic reticulum stress-induced apoptosis in human liver cancer cells.
• Synonyms: (5-Ethenyl-1-azabicyclo[2.2.2]oct-2-yl)(quinolin-4-yl)methanol
• IUPAC Name: (S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
• Molecular Weight: 294.4
• Molecular Formula: C19H22N2O
• Canonical SMILES: C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O
• InChI: InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18+,19-/m0/s1
• InChI Key: KMPWYEUPVWOPIM-QAMTZSDWSA-N
• Melting Point: 260-263 °C
• Appearance: Solid
• Application: Cinchonine occurs in most varieties of cinchonabark (Cinchona micrantha and Rubiaceae).It is used as an antimalarial agent.
• Storage: Store below +30°C.
• Complexity: 412
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 4
• EC Number: 204-234-6
• Exact Mass: 294.17321333
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 22
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Isomeric SMILES: C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=CC=NC4=CC=CC=C34)O
• Monoisotopic Mass: 294.17321333
• NSC Number: 6176
• Physical State: Micro-crystalline powder
• Rotatable Bond Count: 3
• Shipping: Can be shipped at room temperature, where not in use may vary.
• Source: PlantsRubiaceaeCinchona ledgeriana (Howard) Moens et Trim
• Topological Polar Surface Area: 36.4 Ų
• UNII: V43X79NZCD