CAS Number6119-47-7
SynonymsEINECS 231-437-7; MFCD00151248; Quinine monohydrochloride dihydrate; Quinine Hydrochloride Dihydrate; Cinchonan-9-ol, 6'-methoxy-, (8α,9R)-, hydrochloride, hydrate (1:1:2); (8α,9R)-6'-Methoxycinchonan-9-ol hydrochloride dihydrate; Quinine (hydrochloride dihydrate)
Molecular FormulaC20H29ClN2O4
Molecular Weight396.91
Purity≥98.0 (NT)%
Boiling Point633ºC at 760 mmHg
Melting Point115-116 °C (dec.)(lit.)
Appearancepowder
EINECS205-001-1
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 6119-47-7 |
| Catalog No. | 2A-9032493 |
| Chinese Name | 奎宁盐酸盐二水合物 |
| Synonyms | EINECS 231-437-7; MFCD00151248; Quinine monohydrochloride dihydrate; Quinine Hydrochloride Dihydrate; Cinchonan-9-ol, 6'-methoxy-, (8α,9R)-, hydrochloride, hydrate (1:1:2); (8α,9R)-6'-Methoxycinchonan-9-ol hydrochloride dihydrate; Quinine (hydrochloride dihydrate) |
| Molecular Formula | C20H29ClN2O4 |
| Molecular Weight | 396.91 |
| Purity | ≥98.0 (NT) |
| Boiling Point | 633ºC at 760 mmHg |
| Melting Point | 115-116 °C (dec.)(lit.) |
| Appearance | powder |
| Storage Condition | Store at -20°C |
| Application | Quinine hydrochloride dihydrate has antipyretic, antimalarial, analgesic, anti-inflammatory and other properties. |
| EINECS | 205-001-1 |
| HTC | 29392000 |
| PubChem ID | 57647994 |
| MDL Number | MFCD00151248 |
| SMILES | O.O.Cl.COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |
| InChI | 1S/C20H24N2O2.ClH.2H2O/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;;;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H;2*1H2/t13-,14-,19-,20+;;;/m0.../s1 |
| InChI Key | MPQKYZPYCSTMEI-FLZPLBAKSA-N |
| Beilstein/REAXYS | 6112655 |
| NACRES Code | NA.32 |
| UNSPSC | 12171500 |
| Hazard Symbols | transportation |
| MSDS | msds/32493_1_6119_47_7.pdf |
| Bioactivity | Quinine Hydrochloride Dihydrate is a natural white crystalline alkaloid having antipyretic (fever-reducing), antimalarial, analgesic (painkilling), anti-inflammatory properties and a bitter taste.Target: AntiparasiticQuinine is a natural white crystalline alkaloid having antipyretic (fever-reducing), antimalarial, analgesic (painkilling), and anti-inflammatory properties and a bitter taste. It is a stereoisomer of quinidine, which, unlike quinine, is an antiarrhythmic. Quinine contains two major fused-ring systems: the aromatic quinoline and the bicyclic quinuclidine. In patients with cerebral malaria receiving the standard dose of 10 mg/kg every eight hours, plasma quinine concentrations consistently exceeded 10 mg/liter, reaching a peak 60 ± 25 hours (mean ± 1 S.D.) after treatment was begun and then declining. Quinine total clearances (CI) and total apparent volumes of distribution (Vd) were significantly lower than in uncomplicated malaria (CI, 0.92 ± 0.42 compared with 1.35 ± 0.6 ml/min/kg, p = 0.03; Vd, 1.18 ± 0.37 compared with 1.67 ± 0.34 liter/kg, p = 0.0013) [1]. Related Catalog Signaling Pathways >> Anti-infection >> Parasite Research Areas >> Infection References [1]. White, N.J., et al., Quinine pharmacokinetics and toxicity in cerebral and uncomplicated Falciparum malaria. Am J Med, 1982. 73(4): p. 564-72. Chemical & Physical Properties Boiling Point 633ºC at 760 mmHg Melting Point 115-116 °C (dec.)(lit.) Molecular Formula C20H29ClN2O4 Molecular Weight 396.908 Flash Point 122 °C Exact Mass 396.181580 PSA 64.05000 LogP 3.78450 Index of Refraction -250 ° (C=2, EtOH) InChIKey MPQKYZPYCSTMEI-FLZPLBAKSA-N SMILES C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12.Cl.O.O Storage condition Store at -20°C |
| Use of | Properties Name Quinine hydrochloride dihydrate Synonym More Synonyms Quinine Hydrochloride Dihydrate Biological Activity Related Catalog Signaling Pathways >> Anti-infection >> Parasite Research Areas >> Infection References [1]. White, N.J., et al., Quinine pharmacokinetics and toxicity in cerebral and uncomplicated Falciparum malaria. Am J Med, 1982. 73(4): p. 564-72. Chemical & Physical Properties Exact Mass 396.181580 PSA 64.05000 LogP 3.78450 InChIKey MPQKYZPYCSTMEI-FLZPLBAKSA-N |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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