Dexmedetomidine hydrochloride

C13H17ClN2CAS 145108-58-3236.74 g/mol

Open in Covalent MOL file
NNHHCl

Properties

Molecular formula
C13H17ClN2
Molar mass
236.74 g/mol
Exact mass
236.1080 Da
logP
3.60Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
145108-58-3
SMILES
Cc1cccc([C@H](C)c2cnc[nH]2)c1C.Cl
InChIKey
VPNGEIHDPSLNMU-MERQFXBCSA-N
InChI
InChI=1S/C13H16N2.ClH/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);1H/t11-;/m0./s1

Weigh it out

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

Names and synonyms

12 names
  • 1H-Imidazole, 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-, hydrochloride (1:1)
  • 1H-Imidazole, 4-[1-(2,3-dimethylphenyl)ethyl]-, monohydrochloride, (S)-
  • 1H-Imidazole, 4-[(1S)-1-(2,3-dimethylphenyl)ethyl]-, monohydrochloride
  • Dex
  • Precedex
  • Dexmetomidine
  • Dexdomitor
  • (S)-4-(1-(2,3-Dimethylphenyl)ethyl)-1H-imidazole hydrochloride
  • Sileo
  • Sedadex
  • Cepedex
  • Dexdor

Work with Dexmedetomidine hydrochloride

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.

Dexmedetomidine113775-47-6Free base Medetomidine106807-72-1Free base, stereo not defined Medetomidine86347-14-0Free base, stereo not defined 4-[(1R)-1-(2,3-Dimethylphenyl)ethyl]-1H-imidazole monohydrochloride190000-46-5Enantiomer Medetomidine hydrochloride86347-15-1Stereo not defined

Similar compounds

Detomidine hydrochloride90038-01-050 % similar Detomidine76631-46-444 % similar 1-(1-Chloroethyl)-2,3-dimethylbenzene60907-88-241 % similar 2,3-Dimethylphenylhydrazine hydrochloride56737-75-835 % similar 1,2,3-Trimethylbenzene526-73-834 % similar Hydrazine, (2,3-dimethylphenyl)-, hydrochloride, hydrate (1:1:?)123333-92-633 % similar 5-Methylpyrimidin-4-ol17758-52-031 % similar 1-(2,3-Dimethylphenyl)piperazine hydrochloride80836-96-031 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Tetrahydrozoline hydrochloride522-48-5

Elsewhere

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