4-[(1R)-1-(2,3-Dimethylphenyl)ethyl]-1H-imidazole monohydrochloride

C₁₃H₁₇ClN₂CAS 190000-46-5236.74 g/mol

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Properties

Molecular formula: C₁₃H₁₇ClN₂
Molar mass: 236.74 g/mol
Exact mass: 236.1080 Da
logP: 3.60Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

190000-46-5

SMILES

CC1=C(C(=CC=C1)[C@@H](C)C2=CN=CN2)C.Cl

InChIKey

VPNGEIHDPSLNMU-RFVHGSKJSA-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-;/m1./s1

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Names and synonyms

1 names

Levomedetomidine hydrochloride

Work with 4-[(1R)-1-(2,3-Dimethylphenyl)ethyl]-1H-imidazole monohydrochloride

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

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 1-Iodo-2,3-dimethylbenzene31599-60-730 % similar

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

Same formula

Dexmedetomidine hydrochloride145108-58-3 Tetrahydrozoline hydrochloride522-48-5 Medetomidine hydrochloride86347-15-1

Elsewhere

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