hydroxychloroquine

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Names

[ CAS No. ]:
118-42-3

[ Name ]:
hydroxychloroquine

[Synonym ]:
2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol
EINECS 204-249-8
MFCD00078203
Oxichlorochinum
Plaquenil
Oxichloroquine
Polirreumin
Hydroxychlorochin
Oxychlorochin
Hidroxicloroquina
Quensyl
Oxychloroquine

Chemical & Physical Properties

[ 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)

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 Codes ]:
Xn

[ Risk Phrases ]:
R22;R36

[ Safety Phrases ]:
S26

[ HS Code ]:
3004390090

Synthetic Route

Precursor & DownStream

Precursor

  • 4,7-Dichloroquinoline

DownStream

Customs

[ 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%


Related Compounds

  • S-Hydroxychloroquine
  • R-Hydroxychloroquine
  • Hydroxychloroquine sulfate
  • hydroxychloroquine-glycidol
  • Hydroxychloroquine O-Sulfate
  • Hydroxychloroquine-d4 Sulfate
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  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
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  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 2-[(3-Methoxypropyl)amino]-5-(trifluoromethyl)pyridine-4-carboxylic acid
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide