CAS Number4298-15-1
SynonymsCletoquine [INN:BAN]; GNF-Pf-1952; 2-({4-[(7-chloroquinolin-4-yl)amino]pentyl}amino)ethanol; Cletoquine; Cletoquina; Cletochina; Desethylhydroxychloroquine; Cletoquinum; Cletochina [DCIT]
Molecular FormulaC16H22ClN3O
Molecular Weight307.81800
Density1.212 g/cm3
Boiling Point514.7ºC at 760 mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 4298-15-1 |
| Catalog No. | 2A-1166564 |
| Chinese Name | 克尼托喹 |
| Synonyms | Cletoquine [INN:BAN]; GNF-Pf-1952; 2-({4-[(7-chloroquinolin-4-yl)amino]pentyl}amino)ethanol; Cletoquine; Cletoquina; Cletochina; Desethylhydroxychloroquine; Cletoquinum; Cletochina [DCIT] |
| Molecular Formula | C16H22ClN3O |
| Molecular Weight | 307.81800 |
| Density | 1.212 g/cm3 |
| Boiling Point | 514.7ºC at 760 mmHg |
| Storage Condition | room temperature |
| Application | Cletoquine (Desethylhydroxychloroquine) is the main active metabolite of Hydroxychloroquine and is formed in the liver from CYP2D6, CYP3A4, CYP3A5 and CYP2C8 isoenzymes. Cletoquine is also a Chloroqui |
| HTC | 2933499090 |
| PubChem ID | 8194853 |
| SMILES | CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12 |
| InChI | InChI=1S/C16H22ClN3O/c1-12(3-2-7-18-9-10-21)20-15-6-8-19-16-11-13(17)4-5-14(15)16/h4-6,8,11-12,18,21H,2-3,7,9-10H2,1H3,(H,19,20) |
| InChI Key | XFICNUNWUREFDP-UHFFFAOYSA-N |
| Use of | Properties Name 2-[4-[(7-chloroquinolin-4-yl)amino]pentylamino]ethanol Synonym More Synonyms Cletoquine Biological Activity Related Catalog Signaling Pathways >> Anti-infection >> Influenza Virus Research Areas >> Infection Research Areas >> Inflammation/Immunology Chikungunya virus (CHIKV)[2] References [1]. Kumar M, et al. Molecular docking studies of chloroquine and its derivatives against P23pro-zbd domain of chikungunya virus: Implication in designing of novel therapeutic strategies. J Cell Biochem. 2019 Oct;120(10):18298-18308. [2]. Charlier B, et al. Development of a novel ion-pairing HPLC-FL method for the separation and quantification of hydroxychloroquine and its metabolites in whole blood. Biomed Chromatogr. 2018 Aug;32(8):e4258. [3]. Chhonker YS, et al. Simultaneous quantitation of hydroxychloroquine and its metabolites in mouse blood and tissues using LC-ESI-MS/MS: An application for pharmacokinetic studies. J Chromatogr B Analyt Technol Biomed Life Sci. 2018 Jan 1;1072:320-327. Chemical & Physical Properties Exact Mass 307.14500 PSA 57.18000 LogP 3.51460 Index of Refraction 1.623 InChIKey XFICNUNWUREFDP-UHFFFAOYSA-N Safety Information HS Code 2933499090 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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