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Dayang Chem (Hangzhou) Co., Ltd.
China
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Zhejiang Hangyu API Co., Ltd
China
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Henan Tianfu Chemical Co., Ltd.
China
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118-42-3

118-42-3 structure

118-42-3 structure

Name: hydroxychloroquine
Chemical Name: hydroxychloroquine
CAS Number: 118-42-3
Molecular Formula: C₁₈H₂₆ClN₃O
Molecular Weight: 335.87200
Catalog: API Antiparasitic drug Antimalarial
Create Date: 2018-04-30 08:00:00
Modify Date: 2024-01-02 11:10:24
Hydroxychloroquine 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].

Name	hydroxychloroquine
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

Description	Hydroxychloroquine 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 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.

Density	1.176 g/cm3
Boiling Point	516.7ºC at 760 mmHg
Melting Point	89-91°
Molecular Formula	C₁₈H₂₆ClN₃O
Molecular Weight	335.87200
Flash Point	266.3ºC
Exact Mass	335.17600
PSA	48.39000
LogP	3.85600
Vapour Pressure	1.68E-11mmHg at 25°C
Index of Refraction	1.5790 (estimate)

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

Hazard Codes	Xn
Risk Phrases	R22;R36
Safety Phrases	S26
HS Code	3004390090

86-98-6 structure

86-98-6

~%

118-42-3 structure

118-42-3

Literature: DE838142 , ; DRP/DRBP Org.Chem. US2546658 , ;

Precursor 1
86-98-6
DownStream 0

HS Code	2933499090
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%