Basic information
- Name:
Astemizole
- CAS No.:
68844-77-9
- Molecular Structure:
- Formula:
- C28H31FN4O
- Molecular Weight:
- 458.63
- 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
- Appearance:
- White powder
- Hazard Symbols:
Xn- Risk Codes:
- 22-36/37/38
- Safety Description:
- 26-36 Details
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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 NOx.
Hazard Codes: 
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.
