chempirical

(R)-(+)-Ketamine hydrochloride

C13H17Cl2NOCAS 33795-24-3274.18 g/mol

Open in Covalent MOL file
NHClOHCl
Aryl halideKetoneSecondary amine

Properties

Molecular formula
C13H17Cl2NO
Molar mass
274.18 g/mol
Exact mass
273.0687 Da
logP
3.32Crippen estimate
Polar surface area
29.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
33795-24-3
SMILES
CN[C@@]1(c2ccccc2Cl)CCCCC1=O.Cl
InChIKey
VCMGMSHEPQENPE-BTQNPOSSSA-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/t13-;/m1./s1

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

Names and synonyms

7 names
  • Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, hydrochloride (1:1), (2R)-
  • Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-, hydrochloride, (+)-
  • Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, hydrochloride, (R)-
  • Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, hydrochloride, (2R)-
  • (-)-(R)-Ketamine hydrochloride
  • [(R)-(+)-Ketamine] hydrochloride
  • (-)-[(R)-Ketamine hydrochloride]

Work with (R)-(+)-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

Similar compounds

Cyclohexanone, 2-(methylamino)-2-phenyl-, hydrochloride (1:1)4631-27-067 % similar 2-(2-Fluorophenyl)-2-(methylamino)cyclohexanone111982-50-464 % similar Tiletamine hydrochloride14176-50-245 % similar Tiletamine14176-49-939 % similar Tulobuterol hydrochloride56776-01-336 % similar (1-Bromocyclopentyl)(2-chlorophenyl)methanone6740-86-935 % similar Chlophedianol hydrochloride511-13-734 % similar O-Chlorobenzotrichloride2136-89-231 % similar

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

Same formula

Ketamine hydrochloride1867-66-9 2-Chlorophenyl-1-hydroxy-1-cyclopentyl N-methyl ketimine hydrochloride90717-16-1

Elsewhere

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