Detomidine hydrochloride

C₁₂H₁₅ClN₂CAS 90038-01-0222.72 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Danger

H301+H331 Toxic if swallowed or if inhaled33.3% of notifiers
H301 Toxic if swallowed100% of notifiers
H311 Toxic in contact with skin33.3% of notifiers
H331 Toxic if inhaled100% of notifiers
H336 May cause drowsiness or dizziness33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P403+P233, P405, P501

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

Weigh it out

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

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

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.

Detomidine76631-46-4Free base

Similar compounds

Dexmedetomidine hydrochloride145108-58-350 % similar 4-[(1R)-1-(2,3-Dimethylphenyl)ethyl]-1H-imidazole monohydrochloride190000-46-550 % 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

PubChem CAS Common Chemistry NIST WebBook