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Substance Name: Quinine hydrochloride
RN: 130-89-2
UNII: 7CS0WNO31M
InChIKey: LBSFSRMTJJPTCW-DSXUQNDKSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Human Data
  • Mutation Data

Molecular Formula

  • C20-H24-N2-O2.Cl-H

Molecular Weight

  • 360.8825
 
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Names and Synonyms

Name of Substance

  • Quinine hydrochloride

Synonyms

  • 6'-Methoxycinchonan-9-ol monohydrochloride, (8alpha,9R)-
  • AI3-62121
  • CCRIS 2002
  • Chinimetten
  • Chinine hydrochloride
  • Cinchonan-9-ol, 6'-methoxy-, monohydrochloride, (8alpha,9R)-
  • EINECS 205-001-1
  • FEMA No. 2976
  • Quinine chloride
  • Quinine HCl
  • Quinine hydrochloride
  • Quinine monohydrochloride
  • Quinine muriate
  • UNII-7CS0WNO31M

Systematic Names

  • (8alpha,9R)-6'-Methoxycinchonan-9-ol monohydrochloride
  • Cinchonan-9-ol, 6'-methoxy-, hydrochloride (1:1), (8alpha,9R)-
  • Cinchonan-9-ol, 6'-methoxy-, monohydrochloride, (8-alpha,9R)- (9CI)
  • Cinchonan-9-ol, 6'-methoxy-, monohydrochloride, (8alpha,9R)-
  • Cinchonan-9-ol, 6'-methoxy-, monohydrochloride, dihydrate, (8alpha,9R)-
  • Quinine hydrochloride
  • Quinine, monohydrochloride

Superlist Name

  • Quinine hydrochloride

Registry Numbers

CAS Registry Number

  • 130-89-2

FDA UNII

  • 7CS0WNO31M

Other Registry Numbers

  • 11034-23-4
  • 70181-37-2
  • 70181-38-3
  • 918656-55-0

System Generated Number

  • 0000130892

Molecular Formulas

Molecular Formula

  • C20-H24-N2-O2.Cl-H

Molecular Formula Fragments

  • C20-H24-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H24N2O2.ClH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H/t13-,14-,19-,20+;/m0./s1

InChIKey

LBSFSRMTJJPTCW-DSXUQNDKSA-N

Smiles

[C@@H]12[C@H](CN([C@@H](C1)[C@@H](c1ccnc3c1cc(OC)cc3)O)CC2)C=C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 80mg/kg (80mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 30, Pg. 327, 1927.
chicken LDLo oral 857mg/kg (857mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: COMA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 201, Pg. 402, 1943.
dog LDLo intravenous 75mg/kg (75mg/kg) BEHAVIORAL: EXCITEMENT Journal of Pharmacology and Experimental Therapeutics. Vol. 82, Pg. 266, 1944.
dog LDLo subcutaneous 180mg/kg (180mg/kg)   Zeitschrift fuer die Gesamte Experimentelle Medizin. Vol. 11, Pg. 257, 1920.
frog LDLo unreported 350mg/kg (350mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 8, Pg. 53, 1916.
guinea pig LDLo oral 300mg/kg (300mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 12, Pg. 497, 1904.
human LDLo intravenous 230ug/kg (0.23mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 17, Pg. 363, 1883.
mouse LD50 intraperitoneal 189mg/kg (189mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 91, Pg. 133, 1947.
mouse LD50 intravenous 68300ug/kg (68.3mg/kg)   Toxicology and Applied Pharmacology. Vol. 1, Pg. 454, 1959.
mouse LD50 oral 1160mg/kg (1160mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 6, Pg. 185, 1951.
mouse LDLo subcutaneous 700mg/kg (700mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 8, Pg. 53, 1916.
rabbit LDLo intravenous 25mg/kg (25mg/kg) BEHAVIORAL: EXCITEMENT Journal of Pharmacology and Experimental Therapeutics. Vol. 82, Pg. 266, 1944.
rabbit LDLo oral 800mg/kg (800mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 12, Pg. 497, 1904.
rabbit LDLo subcutaneous 250mg/kg (250mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 12, Pg. 497, 1904.
rat LD50 oral 620mg/kg (620mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C218, 1991.
rat LDLo intramuscular 300mg/kg (300mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 63, Pg. 122, 1938.
rat LDLo intravenous 75mg/kg (75mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 63, Pg. 122, 1938.
rat LDLo subcutaneous 790mg/kg (790mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

CARDIAC: OTHER CHANGES

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Zeitschrift fuer die Gesamte Experimentelle Medizin. Vol. 11, Pg. 257, 1920.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 159 deg C   EXP
log P (octanol-water) 1.780 (none)   EST
Water Solubility 4.76E+04 mg/L 25 EXP
Vapor Pressure 1.19E-16 mm Hg 25 EST
Henry's Law Constant 5.41E-23 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.69E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.