Products 1386986-55-5

CAS 1386986-55-5 is the registry number for (9S)–9–(3，5–Bis(trifluoromethyl)benzoate)cinchonan–6'，9–diol. Offered by: GLPBio. Available pack sizes: 250mg, 50mg.

(9S)–9–(3，5–Bis(trifluoromethyl)benzoate)cinchonan–6'，9–diol
GLPBio
  • size: 250mg, 50mg
  • Variants: 2
from 990.20
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Structural formula: {0} (CAS {1})

[(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-hydroxyquinolin-4-yl)methyl] 3,5-bis(trifluoromethyl)benzoate (CAS 1386986-55-5) is a chemical compound with the molecular formula C28H24F6N2O3 and a molecular weight of 550.5 g/mol. IUPAC name: [(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-hydroxyquinolin-4-yl)methyl] 3,5-bis(trifluoromethyl)benzoate. InChIKey: PUJICWBMQMYISO-MKWKOJJYSA-N.

Identity
Molecular formulaC28H24F6N2O3
Molecular weight550.5 g/mol
IUPAC name[(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-hydroxyquinolin-4-yl)methyl] 3,5-bis(trifluoromethyl)benzoate
InChIKeyPUJICWBMQMYISO-MKWKOJJYSA-N
SMILESC=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)O)OC(=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

Computed by PubChem (NCBI)

Related forms of this compound
[(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-hydroxyquinolin-4-yl)methyl] 3,5-bis(trifluoromethyl)benzoate C28H24F6N2O3