CAS Number103639-04-9
Synonyms2-Methylimdazole; ONDANSETRON HYDROCHLORIDE HYDRATE; MFCD00833882; 2-Methyl-1H-imidazole; methyl imidazole; 2-Methylimidazole; Ondansetron Hydrochloride; ODANSETRON HYDROCHLORIDE; Ondansetron Hydrochloride Dihydrate; 2-methyl-imidazole; Ondansetron HCl monohydrate; Ondansetron (hydrochloride dihydrate); EINECS 600-465-5
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86
Purity98%
Density1.1±0.1 g/cm3
Boiling Point267.0±9.0 °C at 760 mmHg
Melting Point231-232ºC
Appearancewhite crystal powder
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 103639-04-9 |
| Catalog No. | 2A-9011774 |
| Chinese Name | 昂丹司琼盐酸盐二水合物 |
| Synonyms | 2-Methylimdazole; ONDANSETRON HYDROCHLORIDE HYDRATE; MFCD00833882; 2-Methyl-1H-imidazole; methyl imidazole; 2-Methylimidazole; Ondansetron Hydrochloride; ODANSETRON HYDROCHLORIDE; Ondansetron Hydrochloride Dihydrate; 2-methyl-imidazole; Ondansetron HCl monohydrate; Ondansetron (hydrochloride dihydrate); EINECS 600-465-5 |
| Molecular Formula | C18H24ClN3O3 |
| Molecular Weight | 365.86 |
| Purity | 98 |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 267.0±9.0 °C at 760 mmHg |
| Melting Point | 231-232ºC |
| Appearance | white crystal powder |
| Storage Condition | −20°C |
| Application | Ondansetron hydrochloride dihydrate is a 5-HT3 receptor antagonist. |
| MDL Number | C18H19N3O·HCl·2H2O |
| SMILES | Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O.Cl.O |
| InChI | InChI=1S/C18H19N3O.ClH.2H2O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2;;;/h3-6,9-10,13H,7-8,11H2,1-2H3;1H;2*1H2 |
| InChI Key | WRZJOBREMUDSSV-UHFFFAOYSA-N |
| Hazard Symbols | Transport |
| MSDS | msds/11774_1_103639_04_9.pdf |
| Bioactivity | Ondansetron is a serotonin 5-HT3 receptor antagonist used mainly as anantiemetic (to treat nausea and vomiting), often following chemotherapy.Target: 5- HT3 ReceptorIC50 Value: in vitro: 5-HT evoked transient inward currents (EC50 = 3.4 microM; Hill coefficient = 1.8) that were blocked by the 5-HT3 receptor antagonist ondansetron (IC50 = 103 pM) [1]. The 5-HT3A receptor antagonist ondansetron (0.3 nM) reversibly inhibited the 5-HT (30 microM) signal by 70% and at 3 nM it abolished the response [2].in vivo: Acute ondansetron administration at the lowest dose (0.1 mg/kg, IP) tested had no effect, while other doses (0.33 and 1 mg/kg, IP) produced improvements in auditory gating [3]. Different doses of ondansetron were injected intraperitoneally (i.p.) at fixed times during the day to determine both the sublethal (TD50) and lethal (LD50) doses, which were, respectively, 3.7 ± 0.6 mg/kg and 4.6 ± 0.5 mg/kg [4]. ondansetron (0.25-1.0 mg/kg, subcutaneously) given before the challenge dose of ethanol (2.4 g/kg, intraperitoneally) injection, significantly and dose dependently attenuated the expression of sensitization. In addition, ondansetron (1.0 mg/kg, subcutaneously) given before ethanol injection on days 1, 4, 7, and 10 significantly blocked the development (days 1, 4, 7, and 10), and expression (day 15) of sensitization to the locomotor stimulant effect of ethanol injection [5]. Toxicity: Ondansetron may be safe in lower doses used to prevent nausea and vomiting in radiation treatment or postoperatively. However, as there is a report that a lower dose of ondansetron prolonged the QT interval in healthy volunteers, this needs to be clarified by the FDA [6]. Related Catalog Signaling Pathways >> GPCR/G Protein >> 5-HT Receptor Signaling Pathways >> Neuronal Signaling >> 5-HT Receptor Research Areas >> Neurological Disease References [1]. Brown AM, et al. Ion permeation and conduction in a human recombinant 5-HT3 receptor subunit (h5-HT3A). J Physiol. 1998 Mar 15;507 ( Pt 3):653-65. [2]. Barann M, et al. Recombinant human 5-HT3A receptors in outside-out patches of HEK 293 cells: basic properties and barbiturate effects. Naunyn Schmiedebergs Arch Pharmacol. 2000 Sep;362(3):255-65. [3]. Wildeboer KM, et al. Ondansetron results in improved auditory gating in DBA/2 mice through a cholinergic mechanism. Brain Res. 2009 Dec 1;1300:41-50. [4]. Khedhaier A, et al. Circadian rhythms in toxic effects of the serotonin antagonist ondansetron in mice. Chronobiol Int. 2003 Nov;20(6):1103-16. [5]. Umathe SN, et al. The 5-HT3 receptor antagonist, ondansetron, blocks the development and expression of ethanol-induced locomotor sensitization in mice. Behav Pharmacol. 2009 Feb;20(1):78-83. [6]. Doggrell SA, et al. Cardiac safety concerns for ondansetron, an antiemetic commonly used for nausea linked to cancer treatment and following anaesthesia. Expert Opin Drug Saf. 2013 May;12(3):421-31. Chemical & Physical Properties Density 1.1±0.1 g/cm3 Boiling Point 267.0±9.0 °C at 760 mmHg Melting Point 231-232ºC Molecular Formula C18H24ClN3O3 Molecular Weight 365.85 Flash Point 144.9±5.1 °C PSA 58.28000 LogP -0.37 Vapour Pressure 0.0±0.5 mmHg at 25°C Index of Refraction 1.523 InChIKey WRZJOBREMUDSSV-UHFFFAOYSA-N SMILES Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O.Cl.O Storage condition −20°C |
| Use of | Properties Articles34 Name Ondansetron hydrochloride Synonym More Synonyms Ondansetron hydrochloride Biological Activity Related Catalog Signaling Pathways >> GPCR/G Protein >> 5-HT Receptor Signaling Pathways >> Neuronal Signaling >> 5-HT Receptor Research Areas >> Neurological Disease References [1]. Brown AM, et al. Ion permeation and conduction in a human recombinant 5-HT3 receptor subunit (h5-HT3A). J Physiol. 1998 Mar 15;507 ( Pt 3):653-65. [4]. Khedhaier A, et al. Circadian rhythms in toxic effects of the serotonin antagonist ondansetron in mice. Chronobiol Int. 2003 Nov;20(6):1103-16. [5]. Umathe SN, et al. The 5-HT3 receptor antagonist, ondansetron, blocks the development and expression of ethanol-induced locomotor sensitization in mice. Behav Pharmacol. 2009 Feb;20(1):78-83. [6]. Doggrell SA, et al. Cardiac safety concerns for ondansetron, an antiemetic commonly used for nausea linked to cancer treatment and following anaesthesia. Expert Opin Drug Saf. 2013 May;12(3):421-31. Chemical & Physical Properties PSA 58.28000 LogP -0.37 Index of Refraction 1.523 InChIKey WRZJOBREMUDSSV-UHFFFAOYSA-N |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Dangerous Regulations for land transport: 2811 International Dangerous Regulations for sea transport: 2811 International Dangerous Regulations for air transport: 2811 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: TOXIC SOLID, ORGANIC, N.O.S. (Ondansetron hydrochloride dihydrate) IMDG Code: TOXIC SOLID, ORGANIC, N.O.S. (Ondansetron hydrochloride dihydrate) International air transport hazard regulations: Toxic solid, organic, n.o.s. (Ondansetron hydrochloride dihydrate) 14.3 Transport hazard categories European Land Transport Danger Regulations: 6.1 International Maritime Transport Danger Regulations: 6.1 International Air Transport Danger Regulations: 6.1 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available |
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