CAS 118-42-3|hydroxychloroquine

Introduction:Basic information about CAS 118-42-3|hydroxychloroquine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Namehydroxychloroquine
CAS Number118-42-3Molecular Weight335.87200
Density1.176 g/cm3Boiling Point516.7ºC at 760 mmHg
Molecular FormulaC18H26ClN3OMelting Point89-91°
MSDS/Flash Point266.3ºC

Names

Namehydroxychloroquine
SynonymMore Synonyms

hydroxychloroquine BiologicalActivity

DescriptionHydroxychloroquine is a synthetic antimalarial agent which can also inhibit Toll-like receptor 7/9 (TLR7/9) signaling. Hydroxychloroquine is efficiently inhibits SARS-CoV-2 infection in vitro[1][2][3].
Related CatalogSignaling Pathways >>Immunology/Inflammation >>Toll-like Receptor (TLR)Research Areas >>CancerResearch Areas >>InfectionSignaling Pathways >>Anti-infection >>SARS-CoVSignaling 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

Density1.176 g/cm3
Boiling Point516.7ºC at 760 mmHg
Melting Point89-91°
Molecular FormulaC18H26ClN3O
Molecular Weight335.87200
Flash Point266.3ºC
Exact Mass335.17600
PSA48.39000
LogP3.85600
Vapour Pressure1.68E-11mmHg at 25°C
Index of Refraction1.5790 (estimate)
InChIKeyXXSMGPRMXLTPCZ-UHFFFAOYSA-N
SMILESCCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KK3325000
CHEMICAL NAME :
Ethanol, 2-((4-((7-chloro-4-quinolyl)amino)pentyl)ethylamino)-
CAS REGISTRY NUMBER :
118-42-3
BEILSTEIN REFERENCE NO. :
0253894
LAST UPDATED :
199703
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C18-H26-Cl-N3-O
MOLECULAR WEIGHT :
335.92
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 :
Oral
SPECIES OBSERVED :
Human - child
DOSE/DURATION :
600 mg/kg
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 :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
88 mg/kg/11D-I
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 :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
112 mg/kg/2W-I
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 :
Oral
SPECIES OBSERVED :
Human
DOSE/DURATION :
429 mg/kg/25D
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 :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
154 mg/kg/18D-I
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 :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1240 mg/kg
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 CodesXn
Risk PhrasesR22;R36
Safety PhrasesS26
HS Code3004390090

Customs

HS Code2933499090
Summary2933499090. 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%

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
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