CAS No.68844-77-9,Astemizole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	68844-77-9
Name:	Astemizole
Article Data:	9

Formula:	C₂₈H₃₁FN₄O
Molecular Weight:	458.579
Synonyms:	Astemisan;Hismanal;Histamen;Histaminos;Histazol;Kelp;Laridal;Metodik;NSC 329963;Novo-Nastizol A;Paralergin;R 43512;Retolen;Waruzol;
EINECS:	272-441-9
Density:	1.2 g/cm³
Melting Point:	172.9 °C
Boiling Point:	627.3 °C at 760 mmHg
Flash Point:	333.2 °C
Solubility:	It is soluble in DMSO (25 mg/ml ), ethanol (25 mg/ml), chloroform, methanol, and water (partly miscible).
Appearance:	White powder
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38
Safety:	26-36
PSA:	42.32000
LogP:	5.36220

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Chemistry

Molecular structure of Astemizole (CAS NO.68844-77-9) is:

Product Name: Astemizole
CAS Registry Number: 68844-77-9
IUPAC Name: 1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine
Molecular Weight: 458.570343 [g/mol]
Molecular Formula: C₂₈H₃₁FN₄O
XLogP3-AA: 6
H-Bond Donor: 1
H-Bond Acceptor: 5
EINECS: 272-441-9
Melting Point: 172.9 °C
Surface Tension: 44.5 dyne/cm
Density: 1.2 g/cm³
Flash Point: 333.2 °C
Enthalpy of Vaporization: 92.84 kJ/mol
Boiling Point: 627.3 °C at 760 mmHg
Vapour Pressure: 1.19E-15 mmHg at 25°C
Product Categories: Aromatics;Heterocycles;Intermediates & Fine Chemicals;Pharmaceuticals;Histamine receptor

History

Astemizole (CAS NO.68844-77-9) was discovered by Janssen Pharmaceutica in 1977.

Uses

Astemizole (CAS NO.68844-77-9) is a second generation antihistamine drug. Astemizole is nonsedating-type histamine H1-receptor antagonist.It has the potential for combination therapy with antivancer drugs such as doxorubicin in resistant leukemia.

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	intravenous	21800ug/kg (21.8mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 33, Pg. 381, 1983.
dog	LD50	oral	> 320mg/kg (320mg/kg)		Archives Internationales de Pharmacodynamie et de Therapie. Vol. 251, Pg. 39, 1981.
guinea pig	LD50	oral	933mg/kg (933mg/kg)		Archives Internationales de Pharmacodynamie et de Therapie. Vol. 251, Pg. 39, 1981.
infant	TDLo	oral	3500ug/kg (3.5mg/kg)	CARDIAC: EKG CHANGES NOT DIAGNOSTIC OF ABOVE CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION	Pediatric Emergency Care. Vol. 12, Pg. 102, 1996.
mouse	LD50	intravenous	35mg/kg (35mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 26, Pg. 239, 1995.
mouse	LD50	oral	2560mg/kg (2560mg/kg)		Archives Internationales de Pharmacodynamie et de Therapie. Vol. 251, Pg. 39, 1981.
mouse	LD50	subcutaneous	1928mg/kg (1928mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 26, Pg. 239, 1995.
rat	LD50	intravenous	28200ug/kg (28.2mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 33, Pg. 381, 1983.
rat	LD50	oral	> 2560mg/kg (2560mg/kg)		Archives Internationales de Pharmacodynamie et de Therapie. Vol. 251, Pg. 39, 1981.
rat	LD50	subcutaneous	355mg/kg (355mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 33, Pg. 381, 1983.
women	TDLo	oral	1200ug/kg (1.2mg/kg)	CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION) CARDIAC: EKG CHANGES NOT DIAGNOSTIC OF ABOVE LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Pediatric Emergency Care. Vol. 12, Pg. 102, 1996.
women	TDLo	oral	4mg/kg (4mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Human Toxicology. Vol. 5, Pg. 43, 1986.
women	TDLo	oral	4mg/kg (4mg/kg)	BEHAVIORAL: COMA CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION) GASTROINTESTINAL: NAUSEA OR VOMITING	British Medical Journal. Vol. 292, Pg. 660, 1986.
women	TDLo	oral	4mg/kg (4mg/kg)	CARDIAC: CHANGE IN RATE	Journal of Toxicology, Clinical Toxicology. Vol. 31, Pg. 121, 1993.
women	TDLo	oral	5400ug/kg (5.4mg/kg)	BEHAVIORAL: GENERAL ANESTHETIC CARDIAC: EKG CHANGES NOT DIAGNOSTIC OF ABOVE CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP	Pediatric Emergency Care. Vol. 9, Pg. 23, 1993.

Safety Profile

Poison by subcutaneous and intravenous routes. Moderately toxic by ingestion. Human systemic effects by ingestion: arrhythmias, coma, nausea or vomiting, somnolence. When heated to decomposition it emits toxic fumes of F⁻ and NO_x.
Hazard Codes: Harmful Xn
Risk Statements: 22-36/37/38
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
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.
WGK Germany: 3
RTECS: DD8968000

Specification

Astemizole , its cas register number is 68844-77-9. It also can be called 1-((4-Fluorophenyl)methyl)-N-(1-(2-(4-methoxyphenyl)ethyl)-4-piperidinyl)- 1H-benzimidazol-2-amine ; 1-(p-Fluorobenzyl)-2-((1-(2-(p-methoxyphenyl)ethyl)piperid-4-yl)amino)benzimidazole ; 1-(p-Fluorobenzyl)-2-((1-(p-methoxyphenethyl)-4-piperidyl)amino)benzimidazole ; 1H-Benzimidazol-2-amine, 1-((4-fluorophenyl)methyl)-N-(1-(2-(4-methoxyphenyl)eth l)-4-piperidinyl)- ; 1H-Benzimidazol-2-amine, 1-((4-fluorophenyl)methyl)-N-(1-(2-(4-methoxyphenyl)ethyl)-4-piperidinyl)- ; Alermizol ; Astemison ; Astemizol .It is a crystalline solid.