Basic information
- CAS
7681-28-9- Standard SMILES
C=C[C@H]1CN2CCC1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O- InChIKey
KUTGSSTVCUKONV-JWVVETNKSA-N- Molecular formula
- C26H34N2O9
- Average molar mass
- 518.6 g/mol
- Monoisotopic mass
- 518.22643067
Overview
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Names & identifiers
- Preferred name
- Quinidine galacturonate
- IUPAC
- (S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
- English name
- quinidine polygalacturonate
- Molecular formula
- C26H34N2O9
- Molecular weight
- 518.55616
Names & synonyms
Quinidine galacturonateEINECS 231-663-67681-28-9Galacturonic acid, compound with (9S)-6'-methoxycinchonan-9-ol(S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acidRitmocorQuinilacSineflutterQalactoquinNaticardinaD-Galacturonic acid, homopolymer, compd. with (9S)-6'-methoxycinchonan-9-olD-Galacturonic acid, homopolymer, compd. with (9S)-6′-methoxycinchonan-9-ol (9CI, ACI)
Database identifiers
- CAS
7681-28-9- PubChem CID
- 64641
Properties
Computed structural properties
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 648
Physicochemical properties
- FDA UNII
- 0 C54E9D68 · H0C54E9D68
- RIDADR
- 1544 · 1544
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- 1544
- hazard_class
- 6.1(b)
- packing_group
- III
Chemistry & industry
Applications
UsesQuinidine polygalacturonate is an antiarrhythmic agent. Quinidine polygalacturonate is a potent, orally active, selective cytochrome P450db inhibitor. Quinidine polygalacturonate is also a K+ channel blocker with an IC50 of 19.9 μM, and can induce apoptosis. Quinidine polygalacturonate can be used for malaria research[1][2][3][4].
Suppliers5 total
Chongqing jooe co., ltd+86-15223382610 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
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Compound notes
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