Apoquinine, dihydrochloride
Basic information
- CAS
64046-94-2- Standard SMILES
C/C=C1/C[NH+]2CCC1CC2C(O)c1cc[nH+]c2ccc(O)cc12.[Cl-].[Cl-]- InChIKey
SSGTUBQRKAFHOM-PCEILQJBSA-N- Molecular formula
- C19H24Cl2N2O2
- Average molar mass
- 383.3 g/mol
- Monoisotopic mass
- 382.1214834
Names & identifiers
- Preferred name
- Apoquinine, dihydrochloride
- IUPAC
- 4-[[(5E)-5-ethylidene-1-azoniabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-1-ium-6-ol dichloride
Names & synonyms
APOQUININE, DIHYDROCHLORIDERefChem:1077146Apocupreine, dihydrochlorideCinchonan-6',9-diol, 3,10-didehydro-10,11-dihydro-, dihydrochloride, (3Z,8-alpha,9R)-64046-94-2
Database identifiers
- CAS
64046-94-2- PubChem CID
- 6434846
Properties
Computed structural properties
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…