Medetomidine

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Systematic / IUPAC Name: 4-[1-(2,3-Dimethylphenyl)ethyl]-1H-imidazole

ID: Reference7310

Other Names: (-)-4-(α,2,3-Trimethylbenzyl)imidazole;
1H-Imidazole, 4-[1-(2,3-dimethylphenyl)ethyl]-

Formula: C13H16N2

Class: Therapeutics/Prescription Drugs Sports Doping Drugs

Spectral Data

Medetomidine 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 Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/1/2018 12:00:52 PM
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Identificators

InChI InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)
InChI Key CUHVIMMYOGQXCV-UHFFFAOYSA-N
Canonical SMILES CC1=C(C(=CC=C1)C(C)C2=CN=CN2)C
CAS
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Other Names (-)-4-(α,2,3-Trimethylbenzyl)imidazole;
1H-Imidazole, 4-[1-(2,3-dimethylphenyl)ethyl]-

In Other Databases

ChEMBL CHEMBL77921
ChemSpider 61868
ChEBI CHEBI:48552
KEGG C07450; D00514; D08165
ChemIDPlus 086347140
PubChem 68602
Wikipedia Medetomidine