Ebastine

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Systematic / IUPAC Name: 4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one

ID: Reference2065

Other Names: Ebastel;
Ebastin;
Estivan;
4-Diphenylmethoxy-1-(3-(4-tert-butylbenzoyl)propyl)piperidine;
1-(4-tert-Butylphenyl)-4-[4-(diphenylmethoxy)piperidin-1-yl]butan-1-one ; more

Formula: C32H39NO2

Class: Therapeutics/Prescription Drugs

Spectral Data

Ebastine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/21/2015 4:19:23 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/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 Key MJJALKDDGIKVBE-UHFFFAOYSA-N
Canonical SMILES CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4
CAS 90729434
Splash
Other Names Ebastel;
Ebastin;
Estivan;
4-Diphenylmethoxy-1-(3-(4-tert-butylbenzoyl)propyl)piperidine;
1-(4-tert-Butylphenyl)-4-[4-(diphenylmethoxy)piperidin-1-yl]butan-1-one;
Evastel;
Kestin;
1-[4-(1,1-Dimethylethyl)phenyl]-4-[4-(diphenylmethoxy)-1-piperidinyl]-1-butanone;
1-Butanone, 1-[4-(1,1-dimethylethyl)phenyl]-4-[4-(diphenylmethoxy)-1-piperidinyl]-;
Bastel;
No-Sedat;
4-(4-Benzhydryloxy-1-piperidyl)-1-(4-tert-butylphenyl)butan-1-one

In Other Databases

ChEMBL CHEMBL305660
ChemSpider 3079
ChemIDPlus 090729434
PubChem 3191
KEGG D01478
Wikipedia Ebastine
HMDb HMDB60159