CAS Number118-42-3
Synonyms2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol; EINECS 204-249-8; MFCD00078203; Oxichlorochinum; Plaquenil; Oxichloroquine; Polirreumin; Hydroxychlorochin; Oxychlorochin; Hidroxicloroquina; Quensyl; Oxychloroquine
Molecular FormulaC18H26ClN3O
Molecular Weight335.87
Purity98.00%
Density1.176 g/cm3
Boiling Point516.7ºC at 760 mmHg
Melting Point89-91°
Appearancesolid
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 118-42-3 |
| Catalog No. | 2A-9018997 |
| Chinese Name | 硫酸羟氯喹 |
| Synonyms | 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol; EINECS 204-249-8; MFCD00078203; Oxichlorochinum; Plaquenil; Oxichloroquine; Polirreumin; Hydroxychlorochin; Oxychlorochin; Hidroxicloroquina; Quensyl; Oxychloroquine |
| Molecular Formula | C18H26ClN3O |
| Molecular Weight | 335.87 |
| Purity | 98.00 |
| Density | 1.176 g/cm3 |
| Boiling Point | 516.7ºC at 760 mmHg |
| Melting Point | 89-91° |
| Appearance | solid |
| Storage Condition | Room Temperature |
| Application | Hydroxychloroquine is a synthetic antimalarial agent that also inhibits Toll-like receptor 7/9 (TLR7/9) signaling. Hydroxychloroquine effectively inhibits SARS-CoV-2 infection. |
| HTC | 3004390090 |
| PubChem ID | 329827374 |
| MDL Number | MFCD00242707 |
| SMILES | CCN(CCO[H])CCCC(C)N([H])C1=CC=NC2=CC(Cl)=CC=C12 |
| InChI | 1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21) |
| InChI Key | XXSMGPRMXLTPCZ-UHFFFAOYSA-N |
| NACRES Code | NA.21 |
| UNSPSC | 12352200 |
| MSDS | msds/18997_1_118_42_3.pdf |
| Use of | Properties Name hydroxychloroquine Synonym More Synonyms hydroxychloroquine Biological Activity Related Catalog Signaling Pathways >> Immunology/Inflammation >> Toll-like Receptor (TLR) Research Areas >> Cancer Research Areas >> Infection Signaling Pathways >> Anti-infection >> SARS-CoV Signaling Pathways >> Autophagy >> Autophagy References [1]. Manzo C, et al. Psychomotor Agitation Following Treatment with Hydroxychloroquine. Drug Saf Case Rep. 2017 Dec;4(1):6. [2]. Lamphier M, et al. Novel small molecule inhibitors of TLR7 and TLR9: mechanism of action and efficacy in vivo. Mol Pharmacol. 2014 Mar;85(3):429-40. [3]. Yao X, et al. In Vitro Antiviral Activity and Projection of Optimized Dosing Design of Hydroxychloroquine for the Treatment of Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2). Clin Infect Dis. 2020 Mar 9. pii: ciaa237. Chemical & Physical Properties Exact Mass 335.17600 PSA 48.39000 LogP 3.85600 Index of Refraction 1.5790 (estimate) InChIKey XXSMGPRMXLTPCZ-UHFFFAOYSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Ethanol, 2-((4-((7-chloro-4-quinolyl)amino)pentyl)ethylamino)- CAS REGISTRY NUMBER : BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C18-H26-Cl-N3-O MOLECULAR WEIGHT : WISWESSER LINE NOTATION : T66 BNJ EMY1&3N2&2Q IG HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Human - child DOSE/DURATION : TOXIC EFFECTS : Brain and Coverings - increased intracranial pressure Behavioral - convulsions or effect on seizure threshold Cardiac - other changes REFERENCE : JATOD3 Journal of Analytical Toxicology. (Preston Pub. Inc., POB 48312, Niles, IL 60648) V.1- 1977- Volume(issue)/page/year: 14,186,1990 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Human - woman DOSE/DURATION : TOXIC EFFECTS : Skin and Appendages - dermatitis, allergic (after systemic exposure) REFERENCE : JAADDB Journal of the American Academy of Dermatology. (C.V. Mosby Co., 11830 Westline Industrial Dr., St. Louis, MO 63141) 1979- Volume(issue)/page/year: 12,857,1985 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Human - woman DOSE/DURATION : TOXIC EFFECTS : Skin and Appendages - dermatitis, irritative (after systemic exposure) REFERENCE : JRHUA9 Journal of Rheumatology. (920 Yonge St., Suite 608, Toronto, Ont., Canada) V.1- 1974- Volume(issue)/page/year: 12,391,1985 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : DOSE/DURATION : TOXIC EFFECTS : Blood - agranulocytosis Skin and Appendages - dermatitis, other (after systemic exposure) REFERENCE : LANCAO Lancet. (7 Adam St., London WC2N 6AD, UK) V.1- 1823- Volume(issue)/page/year: 1,1275,1965 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Human - man DOSE/DURATION : TOXIC EFFECTS : Behavioral - toxic psychosis REFERENCE : JAADDB Journal of the American Academy of Dermatology. (C.V. Mosby Co., 11830 Westline Industrial Dr., St. Louis, MO 63141) 1979- Volume(issue)/page/year: 12,863,1985 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 12,184,1969 Safety Information Hazard Codes Xn Risk Phrases R22;R36 Safety Phrases S26 HS Code 3004390090 Synthetic Route Total: 1 Page 4,7-Dichloroqui... CAS#:86-98-6 hydroxychloroquine CAS#:118-42-3 Literature: DE838142 , ; DRP/DRBP Org.Chem. US2546658 , ; Precursor & DownStream Precursor 1 CAS#:86-98-6 4,7-Dichloroqui... DownStream 0 |
| 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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