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Quinine sulfate dihydrate structure, CAS 6119-70-6

Quinine sulfate dihydrate

CAS Number6119-70-6

SynonymsHydrogen sulfate - (8α,9R)-6'-methoxycinchonan-9-ol hydrate (2:1:2:2); Hydrogen sulfate (8α,9R)-6'-methoxycinchonan-9-ol hydrate (2:1:2:2); EINECS 212-359-2; Quinine Sulfate Dihydrate; (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol,sulfuric acid,dihydrate; Cinchonan-9-ol, 6'-methoxy-, (8α,9R)-, sulfate, hydrate (2:1:2) (salt); MFCD00150790

Molecular FormulaC20H30N2O8S

Molecular Weight391.47

Purity99.0-101.0%

Density

Boiling Point495.9ºC at 760 mmHg

Melting Point~225 °C (dec.) (lit.)

Flash Point

AppearanceWhite crystalline powder

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-9032494 Purity: 99.0-101.0%
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Quality Control of [ 6119-70-6 ] Purity: 99.0-101.0% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number6119-70-6
Catalog No.2A-9032494
Chinese Name硫酸奎宁
SynonymsHydrogen sulfate - (8α,9R)-6'-methoxycinchonan-9-ol hydrate (2:1:2:2); Hydrogen sulfate (8α,9R)-6'-methoxycinchonan-9-ol hydrate (2:1:2:2); EINECS 212-359-2; Quinine Sulfate Dihydrate; (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol,sulfuric acid,dihydrate; Cinchonan-9-ol, 6'-methoxy-, (8α,9R)-, sulfate, hydrate (2:1:2) (salt); MFCD00150790
Molecular FormulaC20H30N2O8S
Molecular Weight391.47
Purity99.0-101.0
Boiling Point495.9ºC at 760 mmHg
Melting Point~225 °C (dec.) (lit.)
AppearanceWhite crystalline powder
Storage ConditionAvoid light, keep in a cool and dry place, sealed
ApplicationQuinine sulfate hydrate (2:1:4) is an orally active alkaloid extracted from cinchona bark and can be used in antimalarial research. Quinine sulfate hydrate (2:1:4) is a potassium channel inhibitor tha
HTC29392000
PubChem ID329752330
MDL NumberMFCD00150790
SMILESO.O.OS(O)(=O)=O.COc1ccc2nccc([C@@H](O)C3CC4CCN3C[C@@H]4C=C)c2c1.COc5ccc6nccc([C@@H](O)C7CC8CCN7C[C@@H]8C=C)c6c5
InChI1S/2C20H24N2O2.H2O4S.2H2O/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4;;/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);2*1H2/t2*13-,14-,19-,20+;;;/m00.../s1
InChI KeyZHNFLHYOFXQIOW-LPYZJUEESA-N
Beilstein/REAXYS6113937
NACRES CodeNA.32
UNSPSC12352210
MSDSmsds/32494_1_6119_70_6.pdf
BioactivityQuinine sulfate hydrate (2:1:4) is an orally active alkaloid extracted from cinchona bark and can be used in anti-malarial studies. Quinine sulfate hydrate (2:1:4) is a potassium channel inhibitor that inhibits WT mouse Slo3 (KCa5.1) channel currents evoked by voltage pulses to +100 mV with an IC50 of 169 μM[1][2]. Related Catalog Research Areas >> Others Signaling Pathways >> Membrane Transporter/Ion Channel >> Potassium Channel References [1]. Shilu Malakar，et al. Drug repurposing of quinine as antiviral against dengue virus infection. Virus Res. 2018 Aug 15;255:171-178. doi: 10.1016/j.virusres.2018.07.018. Epub 2018 Jul 25. [2]. Jhanwar, Deepika，et al. Chemoprevention of DMBA induced skin carcinogenesis in swiss albino mice by quinine sulfate.(2016): 2636-2640. [3]. Ebenezer O Farombi, et al. Quercetin protects against testicular toxicity induced by chronic administration of therapeutic dose of quinine sulfate in rats. J Basic Clin Physiol Pharmacol. 2012 Feb 27;23(1):39-44 Chemical & Physical Properties Boiling Point 495.9ºC at 760 mmHg Melting Point 233-235ºC Molecular Formula C20H30N2O8S Molecular Weight 458.53 Flash Point 253.7ºC Exact Mass 782.356079 PSA 192.62000 LogP 6.52160 InChIKey FXWJCCDFXIIZQW-UHFFFAOYSA-N SMILES C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12.C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12.O.O=S(=O)(O)O
Use ofProperties Name quinine sulfate dihydrate Synonym More Synonyms Quinine sulfate dihydrate Biological Activity Related Catalog Research Areas >> Others Signaling Pathways >> Membrane Transporter/Ion Channel >> Potassium Channel References [2]. Jhanwar, Deepika，et al. Chemoprevention of DMBA induced skin carcinogenesis in swiss albino mice by quinine sulfate.(2016): 2636-2640. [3]. Ebenezer O Farombi, et al. Quercetin protects against testicular toxicity induced by chronic administration of therapeutic dose of quinine sulfate in rats. J Basic Clin Physiol Pharmacol. 2012 Feb 27;23(1):39-44 Chemical & Physical Properties Molecular Formula C20H30N2O8S Exact Mass 782.356079 PSA 192.62000 LogP 6.52160 InChIKey FXWJCCDFXIIZQW-UHFFFAOYSA-N
Transport InfoProduct name: Quinine sulfate
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