CAS No.130-89-2,QUININE HCL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	130-89-2
Name:	QUININE HCL
Article Data:	3

Formula:	C₂₀H₂₅ClN₂O₂
Molecular Weight:	360.884
Synonyms:	Cinchonan-9-ol,6'-methoxy-, monohydrochloride, (8a,9R)- (9CI);Quinine, monohydrochloride (8CI);Chinimetten;Quinine muriate;
EINECS:	205-001-1
Density:	1.21 g/cm³
Melting Point:	158-160 °C
Boiling Point:	495.9 °C at 760 mmHg
Flash Point:	253.7 °C
Solubility:	549.7mg/L(25 oC)
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	45.59000
LogP:	3.91310

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Quinine hydrochloride, with the CAS registry number 130-89-2, is also known as 6'-Methoxycinchonan-9-ol monohydrochloride, (8alpha,9R)-. Its EINECS registry number is 205-001-1. This chemical's molecular formula is C₂₀H₂₅ClN₂O₂ and molecular weight is 360.88. Its systematic name is called (8α,9R)-6'-methoxycinchonan-9-ol hydrochloride (1:1). This chemical can be used as bitter agent. Quinine hydrochloride is mainly used in compound bitter beverage flavor.

Physical properties of Quinine hydrochloride: (1)ACD/LogP: 3.44; (2)ACD/LogD (pH 5.5): 0.35; (3)ACD/LogD (pH 7.4): 1.6; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 3.48; (6)ACD/KOC (pH 5.5): 1.45; (7)ACD/KOC (pH 7.4): 25.45; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Flash Point: 253.7 °C; (12)Enthalpy of Vaporization: 80.41 kJ/mol; (13)Boiling Point: 495.9 °C at 760 mmHg; (14)Vapour Pressure: 1.19E-10 mmHg at 25°C.

Preparation of Quinine hydrochloride: this chemical can be prepared by quinine extracted from the bark of chinchona succirubra. Then you can gain this chemical via hydrochloric acid acidification.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O(c4cc1c(nccc1[C@@H](O)[C@H]2N3CC[C@@H](C2)[C@@H](/C=C)C3)cc4)C
(2)InChI: InChI=1/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
(3)InChIKey: LBSFSRMTJJPTCW-DSXUQNDKBJ

The toxicity data is as follows:

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)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	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)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) GASTROINTESTINAL: NAUSEA OR VOMITING	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)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD CARDIAC: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Zeitschrift fuer die Gesamte Experimentelle Medizin. Vol. 11, Pg. 257, 1920.

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