Dihydroquinidine tartrate

Substructure search Find similar structures

Basic information

CAS: 68905-66-8
Standard SMILES: C=CC1CN2CCC1CC2[C@@H](O)c1ccnc2ccc(OC)cc12.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIKey: XEEWCPZKNADPFV-NOKQYLPOSA-N
Molecular formula: C24H30N2O8
Average molar mass: 474.5 g/mol
Monoisotopic mass: 474.20021592

Names & identifiers

Preferred name: Dihydroquinidine tartrate
IUPAC: (2R,3R)-2,3-dihydroxybutanedioic acid;(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol

Names & synonyms

68905-66-8Dihydroquinidine tartrateCinchonan-9-ol, 6'-methoxy-, (9S)-, (2R,3R)-2,3-dihydroxybutanedioate(salt)DTXSID709886092,3-Dihydroxybutanedioic acid--6'-methoxycinchonan-9-ol (1/1)(2R,3R)-2,3-Dihydroxybutanedioic acid--(9S)-6'-methoxycinchonan-9-ol (1/1)

Database identifiers

CAS: 68905-66-8
PubChem CID: 155185
DTXSID: DTXSID70988609

Properties

Computed structural properties

Topological polar surface area: 161 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 10
Rotatable bonds: 7
Heavy atoms: 34
Formal charge: 0
Complexity: 591

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…