Atipamezole hydrochloride

C₁₄H₁₇ClN₂CAS 104075-48-1248.75 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₇ClN₂
Molar mass: 248.75 g/mol
Exact mass: 248.1080 Da
Melting point: 219.8 °C
logP: 3.28Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed60% of notifiers
H302 Harmful if swallowed40% of notifiers
H311 Toxic in contact with skin20% of notifiers
H312 Harmful in contact with skin40% of notifiers
H331 Toxic if inhaled20% of notifiers
H332 Harmful if inhaled40% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P316, P317, P321, P330, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

104075-48-1

SMILES

CCC1(c2cnc[nH]2)Cc2ccccc2C1.Cl

InChIKey

PCCVCJAQMHDWJY-UHFFFAOYSA-N

InChI

InChI=1S/C14H16N2.ClH/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14;/h3-6,9-10H,2,7-8H2,1H3,(H,15,16);1H

Weigh it out

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

Names and synonyms

3 names

1H-Imidazole, 5-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-, hydrochloride (1:1)
1H-Imidazole, 4-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-, monohydrochloride
Antisedan

Work with Atipamezole 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.

Atipamezole104054-27-5Free base

Similar compounds

Detomidine hydrochloride90038-01-038 % similar Alpha-methyl-dl-histidine dihydrochloride32381-18-336 % similar 4(5)-(Trifluoromethyl)imidazole33468-69-835 % similar 4-(Hydroxymethyl)imidazole hydrochloride32673-41-933 % similar Detomidine76631-46-432 % similar Histamine dihydrochloride56-92-831 % similar 4-Phenylimidazole670-95-131 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook