chempirical

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

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

Similar compounds

Dexmedetomidine113775-47-692 % similar Medetomidine86347-14-092 % similar Detomidine hydrochloride90038-01-050 % similar Detomidine76631-46-444 % similar 1-(1-Chloroethyl)-2,3-dimethylbenzene60907-88-241 % similar (2,3-Dimethylphenyl)hydrazine hydrochloride56737-75-835 % similar Hydrazine, (2,3-dimethylphenyl)-, hydrochloride, hydrate (1:1:?)123333-92-633 % similar 2,6-Dimethylaniline hydrochloride21436-98-630 % similar

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

Same formula

4-[(1R)-1-(2,3-Dimethylphenyl)ethyl]-1H-imidazole monohydrochloride190000-46-5 Tetrahydrozoline hydrochloride522-48-5 Medetomidine hydrochloride86347-15-1

Elsewhere

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