Basic information
- CAS
10453-16-4- Standard SMILES
C=C[C@H]1CN2CCC1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.CC(O)C(=O)O- InChIKey
ZIDGEHZBXVXPFQ-KYNMMFKBSA-N- Molecular formula
- C23H30N2O5
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 414.21547206
Names & identifiers
- Preferred name
- 2-Hydroxypropanoic acid--6'-methoxycinchonan-9-ol (1/1)
- IUPAC
- (S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;2-hydroxypropanoic acid
Names & synonyms
DTXSID409090282-Hydroxypropanoic acid--6'-methoxycinchonan-9-ol (1/1)2-Hydroxypropanoic acid--(1xi,9S)-6'-methoxycinchonan-9-ol (1/1)
Database identifiers
- CAS
10453-16-4- PubChem CID
- 64643
- DTXSID
DTXSID40909028
Properties
Computed structural properties
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 516
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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