6'-Methoxy-10,11-dihydrocinchonan-9-ol--hexonic acid (1/1)
Basic information
- CAS
18253-58-2- Standard SMILES
CC[C@H]1CN2CC[C@H]1CC2[C@@H](O)c1ccnc2ccc(OC)cc12.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO- InChIKey
LFDHHWHDYXAPIG-OSPZJNBRSA-N- Molecular formula
- C26H38N2O9
- Average molar mass
- 522.6 g/mol
- Monoisotopic mass
- 522.25773079
Names & identifiers
- Preferred name
- 6'-Methoxy-10,11-dihydrocinchonan-9-ol--hexonic acid (1/1)
- IUPAC
- (S)-[(4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
- English name
- Hydroxyquinidine gluconate
- Molecular formula
- C26H34N2O9
- Molecular weight
- 518.55616
Names & synonyms
DTXSID1093959418253-58-26'-Methoxy-10,11-dihydrocinchonan-9-ol--hexonic acid (1/1)RefChem:1073529DTXCID401368087Hydroquinidine gluconateEINECS 244-519-2LFDHHWHDYXAPIG-OSPZJNBRSA-N(1xi,8xi,9S)-6'-Methoxy-10,11-dihydrocinchonan-9-ol--D-gluconic acid (1/1)Hydroxyquinidine gluconate
Database identifiers
- CAS
18253-58-2、21666-86-4- PubChem CID
- 89001
- DTXSID
DTXSID10939594- EC Number
- 244-519-2
Properties
Computed structural properties
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 602
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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