Hydroxyquinidine gluconate supplier

Name
Hydroxyquinidine gluconate
EINECS 244-519-2
CAS No. 18253-58-2
Density
Solubility
Melting Point
Formula C₂₆H₃₈N₂O₉
Boiling Point 498.4 °C at 760 mmHg
Molecular Weight 522.59
Flash Point 255.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Gluconic acid, D-, compd. with hydroquinidine (1:1);Dihydroquinidine gluconate;D-Gluconic acid, compd. with (9S)-10,11-dihydro-6'-methoxycinchonan-9-ol (1:1) (9CI);
PSA 162.04000
LogP 0.02950

Hydroxyquinidine gluconate Specification

The Hydroxyquinidine gluconate, with the CAS registry number 18253-58-2, is also known as Dihydroquinidine gluconate. Its EINECS number is 244-519-2. This chemical's molecular formula is C₂₆H₃₈N₂O₉ and molecular weight is 522.59. What's more, its IUPAC name is (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. Its classification code is Drug / Therapeutic Agent.

Physical properties of Hydroxyquinidine gluconate are: (1)ACD/LogP: 3.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.62; (4)ACD/LogD (pH 7.4): 1.42; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.95; (7)ACD/KOC (pH 5.5): 1.9; (8)ACD/KOC (pH 7.4): 12.14; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 34.59 Å²; (13)Flash Point: 255.2 °C; (14)Enthalpy of Vaporization: 80.72 kJ/mol; (15)Boiling Point: 498.4 °C at 760 mmHg; (16)Vapour Pressure: 9.45E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O(c4cc1c(nccc1[C@H](O)C2N3CC[C@@H](C2)[C@@H](CC)C3)cc4)C
(2)InChI: InChI=1S/C20H26N2O2.C6H12O7/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;7-1-2(8)3(9)4(10)5(11)6(12)13/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3;2-5,7-11H,1H2,(H,12,13)/t13-,14-,19?,20-;2-,3-,4+,5-/m01/s1
(3)InChIKey: LFDHHWHDYXAPIG-OSPZJNBRSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LDLo	intravenous	108mg/kg (108mg/kg)		Journal de Pharmacologie. Vol. 2, Pg. 240, 1971.

Product Name

Hydroxyquinidine gluconate

Hydroxyquinidine gluconate Specification

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