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Ebastine structure, CAS 90729-43-4

Ebastine

CAS Number90729-43-4

Synonyms4-Diphenylmethoxy-1-[3-(4-tert-butylbenzoyl)propyl]piperidine; 4'-tert-Butyl-4-[4-(diphenylmethoxy)piperidino]butyrophenone; Ebastinum [Latin]; carebastine; 4-diphenylmethoxy-1-[3-(4-tert-butylbenzoyl)propyl]-piperidine; Ebastina [Spanish]; 4-[4-(Diphenylmethoxy)-1-piperidinyl]-1-[4-(2-methyl-2-propanyl)phenyl]-1-butanone; Kestine; LAS W-090; 1-(4-tert-butylphenyl)-4-[4-(diphenylmethoxy)piperidin-1-yl]butan-1-one; MFCD00865661; Ebastel; 1-[4-(1,1-Dimethylethyl)phenyl]-4-[4-(diphenylmethoxy)-1-piperidinyl]-1-butanone; Ebastin; Ebastine; Estivan

Molecular FormulaC32H39NO2

Molecular Weight469.66

Purity≥98 (HPLC)%

Density1.1±0.1 g/cm3

Boiling Point596.3±50.0 °C at 760 mmHg

Melting Point80-82°C

Flash Point

Appearancesolid

EINECS

MSDSChineseEnglish

SymbolTransport

Signal WordWarning

Cat. No.: 2A-9010269 Purity: ≥98 (HPLC)%
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Quality Control of [ 90729-43-4 ] Purity: ≥98 (HPLC)% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number90729-43-4
Catalog No.2A-9010269
Chinese Name依巴斯汀
Synonyms4-Diphenylmethoxy-1-[3-(4-tert-butylbenzoyl)propyl]piperidine; 4'-tert-Butyl-4-[4-(diphenylmethoxy)piperidino]butyrophenone; Ebastinum [Latin]; carebastine; 4-diphenylmethoxy-1-[3-(4-tert-butylbenzoyl)propyl]-piperidine; Ebastina [Spanish]; 4-[4-(Diphenylmethoxy)-1-piperidinyl]-1-[4-(2-methyl-2-propanyl)phenyl]-1-butanone; Kestine; LAS W-090; 1-(4-tert-butylphenyl)-4-[4-(diphenylmethoxy)piperidin-1-yl]butan-1-one; MFCD00865661; Ebastel; 1-[4-(1,1-Dimethylethyl)phenyl]-4-[4-(diphenylmethoxy)-1-piperidinyl]-1-butanone; Ebastin; Ebastine; Estivan
Molecular FormulaC32H39NO2
Molecular Weight469.66
Purity≥98 (HPLC)
Density1.1±0.1 g/cm3
Boiling Point596.3±50.0 °C at 760 mmHg
Melting Point80-82°C
Appearancesolid
Water SolubilityWater solubility: insoluble
Storage ConditionRoom temp
ApplicationEbastine (LAS-W 090; RP64305) is a long-acting H1 histamine receptor antagonist.
PubChem ID329799086
MDL NumberMFCD00865661
SMILESCC(C)(C)c1ccc(cc1)C(=O)CCCN2CCC(CC2)OC(c3ccccc3)c4ccccc4
InChI1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3
InChI KeyMJJALKDDGIKVBE-UHFFFAOYSA-N
NACRES CodeNA.77
UNSPSC12352200
Hazard SymbolsTransport
MSDSmsds/10269_1_90729_43_4.pdf
BioactivityEbastine(LAS-W 090;RP64305) is a long-acting and selective H1-histamine receptor antagonist.Target: Histamine H1 ReceptorEbastine is a H1 antihistamine with low potential for causing drowsiness. Ebastine (10 mg orally) causes brain histamine H1-receptor occupation of approximately 10%, consistent with its lower incidence of sedative effect, whereas (+)-chlorpheniramine occupied about 50% of brain H1-receptors even at a low but sedative dose of 2 mg; occupancy of (+)-chlorpheniramine was correlated with plasma (+)-chlorpheniramine concentration [1]. ebastine 10 or 20 mg once daily was rapidly effective in relieving symptoms of PAR in adult and adolescent patients; additional benefits of the 20-mg dose became apparent in the longer term [2]. ebastine is an effective and generally well-tolerated treatment for allergic rhinitis and chronic idiopathic urticaria. In addition to the regular tablet formulation, ebastine is available as a FDT, providing a treatment option that is particularly convenient for patients [3]. Related Catalog Signaling Pathways >> GPCR/G Protein >> Histamine Receptor Signaling Pathways >> Immunology/Inflammation >> Histamine Receptor Research Areas >> Inflammation/Immunology References [1]. Tagawa, M., et al., Neuroimaging of histamine H1-receptor occupancy in human brain by positron emission tomography (PET): a comparative study of ebastine, a second-generation antihistamine, and (+)-chlorpheniramine, a classical antihistamine. Br J Clin Pharmacol, 2001. 52(5): p. 501-9. [2]. Bousquet, J., et al., A 12-week, placebo-controlled study of the efficacy and safety of ebastine, 10 and 20 mg once daily, in the treatment of perennial allergic rhinitis. Multicentre Study Group. Allergy, 1999. 54(6): p. 562-8. [3]. Sastre, J., Ebastine in allergic rhinitis and chronic idiopathic urticaria. Allergy, 2008. 63 Suppl 89: p. 1-20. Chemical & Physical Properties Density 1.1±0.1 g/cm3 Boiling Point 596.3±50.0 °C at 760 mmHg Melting Point 80-82°C Molecular Formula C32H39NO2 Molecular Weight 469.658 Flash Point 314.5±30.1 °C Exact Mass 469.298065 PSA 29.54000 LogP 7.79 Vapour Pressure 0.0±1.7 mmHg at 25°C Index of Refraction 1.590 InChIKey MJJALKDDGIKVBE-UHFFFAOYSA-N SMILES CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 Storage condition Room temp
Use ofProperties Articles36 Name 4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one Synonym More Synonyms Ebastine Biological Activity Related Catalog Signaling Pathways >> GPCR/G Protein >> Histamine Receptor Signaling Pathways >> Immunology/Inflammation >> Histamine Receptor Research Areas >> Inflammation/Immunology References [1]. Tagawa, M., et al., Neuroimaging of histamine H1-receptor occupancy in human brain by positron emission tomography (PET): a comparative study of ebastine, a second-generation antihistamine, and (+)-chlorpheniramine, a classical antihistamine. Br J Clin Pharmacol, 2001. 52(5): p. 501-9. [3]. Sastre, J., Ebastine in allergic rhinitis and chronic idiopathic urticaria. Allergy, 2008. 63 Suppl 89: p. 1-20. Chemical & Physical Properties Molecular Formula C32H39NO2 Exact Mass 469.298065 PSA 29.54000 Index of Refraction 1.590 InChIKey MJJALKDDGIKVBE-UHFFFAOYSA-N Storage condition Room temp
Transport InfoProduct name: Purity: 99.0%
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 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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