chempirical

Detomidine hydrochloride

C12H15ClN2CAS 90038-01-0222.72 g/mol

Open in Covalent MOL file
NNHHCl

Properties

Molecular formula
C12H15ClN2
Molar mass
222.72 g/mol
Exact mass
222.0924 Da
Melting point
160 °C
logP
3.04Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
90038-01-0
SMILES
Cc1cccc(Cc2cnc[nH]2)c1C.Cl
InChIKey
OIWRDXKNDCJZSM-UHFFFAOYSA-N
InChI
InChI=1S/C12H14N2.ClH/c1-9-4-3-5-11(10(9)2)6-12-7-13-8-14-12;/h3-5,7-8H,6H2,1-2H3,(H,13,14);1H

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Names and synonyms

5 names
  • 1H-Imidazole, 5-[(2,3-dimethylphenyl)methyl]-, hydrochloride (1:1)
  • 1H-Imidazole, 4-[(2,3-dimethylphenyl)methyl]-, monohydrochloride
  • Domosedan
  • Dormosedan
  • MPV 253AII

Work with Detomidine 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

Detomidine76631-46-491 % similar Dexmedetomidine hydrochloride145108-58-350 % similar Medetomidine hydrochloride86347-15-150 % similar Medetomidine106807-72-144 % similar Dexmedetomidine113775-47-644 % similar Medetomidine86347-14-044 % similar 2,3-Dimethylbenzenemethanol13651-14-441 % similar 4-(Hydroxymethyl)imidazole hydrochloride32673-41-941 % similar

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

Same formula

4-Cyano-4-phenylpiperidine hydrochloride51304-58-6

Elsewhere

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