Hydroquinidine Hydrochloride

• CAS: 1476-98-8
• Catalog Number: ACM1476988
• Category: Other Products
• Molecular Weight: 362.9
• Molecular Formula: C20H27ClN2O2
• Synonyms: (1S)-((2R,4S,5R)-5-Ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methanol hydrochloride
• IUPAC Name: (S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydrochloride
• Canonical SMILES: CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)O.Cl
• InChI: InChI=1S/C20H26N2O2.ClH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3;1H/t13-,14-,19+,20-;/m0./s1
• InChI Key: MULXTQKDWYBJMO-VJAUXQICSA-N
• Melting Point: 277-279 °C
• Complexity: 432
• Covalently-Bonded Unit Count: 2
• Defined Atom Stereocenter Count: 4
• EC Number: 216-024-1
• Exact Mass: 362.1761058
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Heavy Atom Count: 25
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 2
• Isomeric SMILES: CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)O.Cl
• Monoisotopic Mass: 362.1761058
• Physical State: Solid
• Rotatable Bond Count: 4
• Topological Polar Surface Area: 45.6
• UNII: 6BR4G8VAHM