chempirical

Cariprazine

C21H32Cl2N4OCAS 839712-12-8427.41 g/mol

Open in Covalent MOL file
NOHNNNClCl
Aryl halideTertiary amine

Properties

Molecular formula
C21H32Cl2N4O
Molar mass
427.41 g/mol
Exact mass
426.1953 Da
logP
4.54Crippen estimate
Polar surface area
42.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
5
Stereocentres
r, rin SMILES atom order

Identifiers

CAS number
839712-12-8
SMILES
CN(C)C(O)=N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1
InChIKey
KPWSJANDNDDRMB-QAQDUYKDNA-N
InChI
InChI=1/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17-

Weigh it out

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

Names and synonyms

5 names
  • Urea, N′-[trans-4-[2-[4-(2,3-dichlorophenyl)-1-piperazinyl]ethyl]cyclohexyl]-N,N-dimethyl-
  • N′-[trans-4-[2-[4-(2,3-Dichlorophenyl)-1-piperazinyl]ethyl]cyclohexyl]-N,N-dimethylurea
  • RGH 188
  • [trans-4-[[2-[4-(2,3-Dichlorophenyl)piperazin-1-yl]ethyl]carbamoyl]cyclohexan-1-yl]-N,N-dimethylamine
  • Vraylar

Work with Cariprazine

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

Aripiprazole129722-12-939 % similar 2,3-Dichlorophenylpiperazine41202-77-138 % similar 1-(2,3-Dichlorophenyl)piperazine hydrochloride119532-26-236 % similar Dcmu330-54-134 % similar Dehydroaripiprazole129722-25-433 % similar Chlortoluron15545-48-933 % similar

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

Elsewhere

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