Cinchonidine

• Catalog Number: ACM485712
• Product Name: Cinchonidine
• CAS: 485-71-2
• Category: Inhibitors
• Description: Cinchonidine (α-Quinidine) is a cinchona alkaloid found in Cinchona officinalis and Gongronema latifolium. A building block used in asymmetric synthesis in organic chemistry. Weak inhibitor of serotonin transporter (SERT) with Kis of 330, 4.2, 36, 196, 15 μM for dSERT, hSERT, hSERT I172M, hSERT S438T, hSERT Y95F, respectively. Antimalarial activities.
• Synonyms: Cinchonidinederivedcatalyst
• IUPAC Name: (R)-[(2S,4S,5R)-5-Ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
• Molecular Weight: 294.39
• 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-KODHJQJWSA-N
• Boiling Point: 436.16 °C
• Melting Point: 204-206 °C(lit.)
• Flash Point: 234.7 °C
• Density: 1.0863 g/cm³
• Solubility: Insoluble in water
• Appearance: Crystalline powder
• Application: Occurs in most varieties of Cinchona
• Storage: Keep in dark place, inert atmosphere, room temperature
• Complexity: 412
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 4
• EC Number: 207-622-3
• Exact Mass: 294.173213330
• 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: 294.173213330
• NSC Number: 757800
• Physical State: Crystalline powder
• Rotatable Bond Count: 3
• Topological Polar Surface Area: 36.4 Ų
• UNII: 1U622LRA8Z