Dexmedetomidine

enlarge

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

ID: Reference7261

Other Names: (S)-Medetomidine;
Dexdor;
(+)-4-[(S)-α,2,3-Trimethylbenzyl]imidazole ;
(S)-5-[1-(2,3-Dimethylphenyl)ethyl]-1H-imidazole ;
1H-Imidazole, 4-[(1S)-1-(2,3-dimethylphenyl)ethyl]- ; more

Formula: C13H16N2

Class: Therapeutics/Prescription Drugs

Spectral Data

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

View Mass Spectra

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 1/16/2018 7:48:47 AM
View Mass Spec Data > >

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)/t11-/m0/s1
InChI Key CUHVIMMYOGQXCV-NSHDSACASA-N
Canonical SMILES CC1=C(C(=CC=C1)C(C)C2=CN=CN2)C
CAS
Splash
Other Names (S)-Medetomidine;
Dexdor;
(+)-4-[(S)-α,2,3-Trimethylbenzyl]imidazole ;
(S)-5-[1-(2,3-Dimethylphenyl)ethyl]-1H-imidazole ;
1H-Imidazole, 4-[(1S)-1-(2,3-dimethylphenyl)ethyl]-;
1H-Imidazole,5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-;
4-[(1S)-1-(2,3-Dimethylphenyl)ethyl]-3H-imidazole

In Other Databases

HMDb HMDB14771
ChEBI CHEBI:4466
DrugBank DB00633
ChemSpider 4470605
ChEMBL CHEMBL778
PubChem 5311068
KEGG D00514; C07450
Wikipedia Dexmedetomidine