Basic information
- CAS
38199-25-6- Standard SMILES
CC[C@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c1ccnc2cc(C(F)(F)F)ccc12.Cl.Cl- InChIKey
CWIQQRJJQPCRKM-LLNSMMKGSA-N- Molecular formula
- C20H25Cl2F3N2O
- Average molar mass
- 437.3 g/mol
- Monoisotopic mass
- 436.1296033
Names & identifiers
- Preferred name
- (-)-(Trifluoromethyl)dihydrocinchonidine dihydrochloride
- IUPAC
- (R)-[(2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-[7-(trifluoromethyl)quinolin-4-yl]methanol;dihydrochloride
Names & synonyms
(-)-(Trifluoromethyl)dihydrocinchonidine dihydrochloride38199-25-6DTXSID80191581Cinchonan-9-ol, 10,11-dihydro-7'-(trifluoromethyl)-, dihydrochloride, (8alpha,9R)-(1xi,9R)-7'-(Trifluoromethyl)-3alpha,4beta,8alpha-10,11-dihydrocinchonan-9-ol--hydrogen chloride (1/2)
Database identifiers
- CAS
38199-25-6- PubChem CID
- 181568
- DTXSID
DTXSID80191581
Properties
Computed structural properties
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 500
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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