Ketamine hydrochloride

C₁₃H₁₇Cl₂NOCAS 1867-66-9274.18 g/mol

Open in Covalent MOL file

Aryl halide Ketone Secondary amine

Properties

Molecular formula: C₁₃H₁₇Cl₂NO
Molar mass: 274.18 g/mol
Exact mass: 273.0687 Da
Melting point: 262–263 °C
logP: 3.32Crippen estimate
Polar surface area: 29.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed96.7% of notifiers
H315 Causes skin irritation92.2% of notifiers
H319 Causes serious eye irritation93.3% of notifiers
H335 May cause respiratory irritation52.2% of notifiers
H361 Suspected of damaging fertility or the unborn child42.2% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure42.2% of notifiers

Aggregated from 90 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1867-66-9

SMILES

CNC1(c2ccccc2Cl)CCCCC1=O.Cl

InChIKey

VCMGMSHEPQENPE-UHFFFAOYSA-N

InChI

InChI=1S/C13H16ClNO.ClH/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14;/h2-3,6-7,15H,4-5,8-9H2,1H3;1H

Weigh it out

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

Names and synonyms

23 names · show all

Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, hydrochloride (1:1)
Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-, hydrochloride, (±)-
Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, hydrochloride, (±)-
Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, hydrochloride
(±)-2-(o-Chlorophenyl)-2-(methylamino)cyclohexanone hydrochloride
Ketalar
Vetalar
Ketaset
CI 581
(±)-Ketamine hydrochloride
Ketanest
Ketolar
Ketavet 100
Calipsol
Kalipsol
Ketanarkon
Ketaject
Ketavet
CL369
Ketamil
Ketmin 50
2-(2-Chlorophenyl)-2-(methylamino)cyclohexanone hydrochloride
Vetanarcol

Work with Ketamine 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.

(R)-(+)-Ketamine hydrochloride33795-24-3Defined stereoisomer

Similar compounds

Deschloroketamine hydrochloride4631-27-067 % similar 2-(2-Fluorophenyl)-2-(methylamino)cyclohexanone111982-50-464 % similar 2-(2-Chlorophenyl)-2-nitrocyclohexanone2079878-75-252 % similar Tiletamine hydrochloride14176-50-245 % similar Tiletamine14176-49-939 % similar Tulobuterol hydrochloride56776-01-336 % similar 2-Chloro-2-methylcyclohexan-1-one10409-46-836 % similar 1-Bromocyclopentyl-o-chlorophenyl ketone6740-86-935 % similar

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

Same formula

2-Chlorophenyl-1-hydroxy-1-cyclopentyl N-methyl ketimine hydrochloride90717-16-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook