Medetomidine

C₁₃H₁₆N₂CAS 106807-72-1200.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₆N₂
Molar mass: 200.29 g/mol
Exact mass: 200.1313 Da
logP: 3.18Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Danger

H300 Fatal if swallowedAcute toxicity, oral
H330 Fatal if inhaledAcute toxicity, inhalation
H336 May cause drowsiness or dizzinessSpecific target organ toxicity, single exposure; Narcotic effects
H370 Causes damage to organsSpecific target organ toxicity, single exposure
H372 Causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P260, P261, P264, P270, P271, P273, P284, P301+P316, P304+P340, P308+P316, P316, P319, P320, P321, P330, P391, P403+P233, P405, P501

Identifiers

CAS number

106807-72-1

SMILES

Cc1cccc(C(C)c2cnc[nH]2)c1C

InChIKey

CUHVIMMYOGQXCV-UHFFFAOYSA-N

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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

1H-Imidazole, 5-[1-(2,3-dimethylphenyl)ethyl]-
1H-Imidazole, 4-[1-(2,3-dimethylphenyl)ethyl]-
5-[1-(2,3-Dimethylphenyl)ethyl]-1H-imidazole
Dl-Medetomidine
(±)-Medetomidine
Slectope
Selektope

Work with Medetomidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Dexmedetomidine113775-47-6Defined stereoisomer Dexmedetomidine hydrochloride145108-58-3Salt, defined stereoisomer Medetomidine hydrochloride86347-15-1Salt 4-[(1R)-1-(2,3-Dimethylphenyl)ethyl]-1H-imidazole monohydrochloride190000-46-5Salt, defined stereoisomer Medetomidine86347-14-0

Similar compounds

Detomidine76631-46-447 % similar 1-(1-Chloroethyl)-2,3-dimethylbenzene60907-88-244 % similar Detomidine hydrochloride90038-01-044 % similar 1,2,3-Trimethylbenzene526-73-837 % similar 5-Methylpyrimidin-4-ol17758-52-033 % similar 1-Iodo-2,3-dimethylbenzene31599-60-733 % similar O-Cymene527-84-433 % similar 1-Bromo-2,3-dimethylbenzene576-23-833 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-(4-Piperidinyl)-1H-indole17403-09-7 5-(2-Methylpropyl)-1-phenyl-1H-pyrazole3191-86-4 (+-)-Tetrahydrozoline84-22-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook