CAS No.19774-82-4,Amiodarone hydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	19774-82-4
Name:	Amiodarone hydrochloride
Article Data:	4

Formula:	C₂₅H₃₀ClI₂NO₃
Molecular Weight:	681.78
Synonyms:	Ketone,2-butyl-3-benzofuranyl 4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl,hydrochloride (7CI,8CI);Methanone,(2-butyl-3-benzofuranyl)[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]-,hydrochloride (9CI);2-Butyl-3-benzofuranyl4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl ketone hydrochloride;Amiodar;Amiodaronehydrochloride;Ancoron;Angiodarona;Cordarex;Cordarone;L 3428;Miocard;Ortacrone;Ritmocardyl;Trangorex;
EINECS:	243-293-2
Density:	1.58 g/cm3
Melting Point:	154-158°C
Boiling Point:	635.1 °C at 760 mmHg
Flash Point:	337.9 °C
Appearance:	white to cream crystalline powder
Hazard Symbols:	Xn
Risk Codes:	20/21/22
Safety:	36
PSA:	42.68000
LogP:	7.73820

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Specification

The IUPAC name of Amiodarone hydrochloride is (2-butyl-1-benzofuran-3-yl)-[4-(2-diethylaminoethyloxy)-3,5-diiodophenyl]methanone hydrochloride. With the CAS registry number 19774-82-4, it is also named as Miodrone. The product's categories are Active Pharmaceutical Ingredients; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals; API's; Ion transporter and other ion Channel. It should be stored at 2-8 °C. Besides, this chemical is antianginal and antiarrhythmic drug. It increases the duration of ventricular and atrial muscle action by inhibiting Na,K-activated myocardial adenosine triphosphatase. In addition, its molecular formula is C₂₅H₃₀ClI₂NO₃ and molecular weight is 681.78.

The other characteristics of Amiodarone hydrochloride can be summarized as: (1)EINECS: 243-293-2; (2)ACD/LogP: 8.89; (3)# of Rule of 5 Violations: 2; (4)ACD/LogD (pH 5.5): 5.86; (5)ACD/LogD (pH 7.4): 6.94; (6)ACD/BCF (pH 5.5): 3126.06; (7)ACD/BCF (pH 7.4): 38076.16; (8)ACD/KOC (pH 5.5): 1518.66; (9)ACD/KOC (pH 7.4): 18497.71; (10)#H bond acceptors: 4; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 11; (13)Polar Surface Area: 39.44 Å²; (14)Flash Point: 337.9 °C; (15)Enthalpy of Vaporization: 93.85 kJ/mol; (16)Boiling Point: 635.1 °C at 760 mmHg; (17)Vapour Pressure: 4.95E-16 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is harmful by inhalation, in contact with skin and if swallowed. You should wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
(1)SMILES: [Cl-].Ic1cc(cc(I)c1OCC[NH+](CC)CC)C(=O)c2c3ccccc3oc2CCCC
(2)InChI: InChI=1/C25H29I2NO3.ClH/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3;/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3;1H
(3)InChIKey: ITPDYQOUSLNIHG-UHFFFAOYAF

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	intravenous	5gm/kg (5000mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 23, Pg. 682, 1992.
dog	LD50	oral	> 5gm/kg (5000mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 23, Pg. 682, 1992.
man	LDLo	oral	3129mg/kg/3Y- (3129mg/kg)	LUNGS, THORAX, OR RESPIRATION: PLEURAL THICKENING LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Southern Medical Journal. Vol. 89, Pg. 85, 1996.
man	TDLo	oral	171mg/kg/30D- (171mg/kg)	LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	American Heart Journal. Vol. 100, Pg. 412, 1980.
man	TDLo	oral	240mg/kg/6W-I (240mg/kg)	SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Archives of Internal Medicine. Vol. 155, Pg. 1106, 1995.
mouse	LD50	intraperitoneal	450mg/kg (450mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 23, Pg. 682, 1992.
mouse	LD50	oral	> 3gm/kg (3000mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 23, Pg. 682, 1992.
rat	LD50	intraperitoneal	610mg/kg (610mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 23, Pg. 682, 1992.
rat	LD50	intravenous	170mg/kg (170mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 23, Pg. 682, 1992.
rat	LD50	oral	> 3gm/kg (3000mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 23, Pg. 682, 1992.
women	TDLo	oral	120mg/kg/10D- (120mg/kg)	CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)	Human Toxicology. Vol. 4, Pg. 169, 1985.
women	TDLo	oral	1128mg/kg/56W (1128mg/kg)	LUNGS, THORAX, OR RESPIRATION: "FIBROSIS, FOCAL (PNEUMOCONIOSIS)" LUNGS, THORAX, OR RESPIRATION: DYSPNEA	American Journal of Medicine. Vol. 86, Pg. 134, 1989.
women	TDLo	oral	2480mg/kg/43W (2480mg/kg)	ENDOCRINE: THYROID WEIGHT (GOITER)	Acta Medica Scandinavica. Vol. 221, Pg. 219, 1987.