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549-49-5

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Basic Information
CAS No.: 549-49-5
Name: QUININE HYDROBROMIDE
Molecular Structure:
Molecular Structure of 549-49-5 (QUININE HYDROBROMIDE)
Formula: C20H24 N2 O2 . Br H
Molecular Weight: 486.247
Synonyms: Cinchonan-9-ol,6'-methoxy-, monohydrobromide, (8a,9R)- (9CI); Quinine, monohydrobromide (8CI); Quinine hydrobromide
Density: 1.21g/cm3
Melting Point: 81-82 C
Boiling Point: 495.9°Cat760mmHg
Flash Point: 253.7°C
Hazard Symbols: Xn,Xi
Risk Codes: 20/21/22-36/37/38-42/43
Safety: Poison by subcutaneous route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx and HBr. See also QUININE.
PSA: 45.59000
LogP: 4.06920
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Chemistry

IUPAC Name: 5-Ethenyl-1-azabicyclo[2.2.2]octan-7-yl)-(6-methoxyquinolin-4-yl)methanol hydrobromide
Synonyms of Quinine hydrobromide (CAS NO.549-49-5): Bromoquinine ; Chinin hydrobromid ; Cinchonan-9-ol, 6'-methoxy-, monohydrobromide, (8-alpha,9R)-(9CI) ; Quinine, monohydrobromide
CAS NO: 549-49-5
Molecular Formula: C20H25BrN2O2
Molecular Weight : 405.328700 g/mol
Molecular Structure:
EINECS: 208-967-2
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 5
Polar Surface Area: 34.59 Å2
Flash Point: 253.7 °C
Enthalpy of Vaporization: 80.41 kJ/mol
Boiling Point: 495.9 °C at 760 mmHg
Vapour Pressure: 1.19E-10 mmHg at 25°C
Melting Point: 81-82°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo oral 30gm/kg (30000mg/kg)   "Ueber die Wirkung Verschiedener Gifte Auf Vogel, Dissertation," Forchheimer, L., Pharmakologischen Institut der Universitat Wurzburg, Fed. Rep. Ger., 1931Vol. -, Pg. -, 1931.
frog LDLo subcutaneous 18gm/kg (18000mg/kg)   "Ueber die Wirkung Verschiedener Gifte Auf Vogel, Dissertation," Forchheimer, L., Pharmakologischen Institut der Universitat Wurzburg, Fed. Rep. Ger., 1931Vol. -, Pg. -, 1931.
pigeon LDLo oral 6gm/kg (6000mg/kg)   "Ueber die Wirkung Verschiedener Gifte Auf Vogel, Dissertation," Forchheimer, L., Pharmakologischen Institut der Universitat Wurzburg, Fed. Rep. Ger., 1931Vol. -, Pg. -, 1931.
pigeon LDLo subcutaneous 1gm/kg (1000mg/kg)   "Ueber die Wirkung Verschiedener Gifte Auf Vogel, Dissertation," Forchheimer, L., Pharmakologischen Institut der Universitat Wurzburg, Fed. Rep. Ger., 1931Vol. -, Pg. -, 1931.
rabbit LDLo oral 750mg/kg (750mg/kg)   "Ueber die Wirkung Verschiedener Gifte Auf Vogel, Dissertation," Forchheimer, L., Pharmakologischen Institut der Universitat Wurzburg, Fed. Rep. Ger., 1931Vol. -, Pg. -, 1931.
rabbit LDLo subcutaneous 250mg/kg (250mg/kg)   "Ueber die Wirkung Verschiedener Gifte Auf Vogel, Dissertation," Forchheimer, L., Pharmakologischen Institut der Universitat Wurzburg, Fed. Rep. Ger., 1931Vol. -, Pg. -, 1931.

Safety Profile

Hazard Codes: HarmfulXn,Xi
Risk Statements: 20/21/22-36/37/38-42/43
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R36/37/38: Quinine hydrobromide (CAS NO.549-49-5) is irritating to eyes, respiratory system and skin. 
R42/43:May cause sensitization by inhalation and skin contact.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
RIDADR: 1544
RTECS; VA7650000
HazardClass; 6.1(b)
PackingGroup: III

Poison by subcutaneous route. Moderately toxic by ingestion. When Quinine hydrobromide (CAS NO.549-49-5) is heated to decomposition, it emits toxic fumes of NOx and HBr. See also QUININE.