ChemSpider 2D Image | Cariprazine | C21H32Cl2N4O

Cariprazine

  • Molecular FormulaC21H32Cl2N4O
  • Average mass427.411 Da
  • Monoisotopic mass426.195313 Da
  • ChemSpider ID25999972

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-(trans-4-{2-[4-(2,3-Dichlorophenyl)-1-piperazinyl]ethyl}cyclohexyl)-1,1-dimethylurea [ACD/IUPAC Name]
3-(trans-4-{2-[4-(2,3-Dichlorophényl)-1-pipérazinyl]éthyl}cyclohexyl)-1,1-diméthylurée [French] [ACD/IUPAC Name]
3-(trans-4-{2-[4-(2,3-Dichlorphenyl)-1-piperazinyl]ethyl}cyclohexyl)-1,1-dimethylharnstoff [German] [ACD/IUPAC Name]
839712-12-8 [RN]
cariprazina [Spanish] [INN]
cariprazine [French] [INN]
Cariprazine [INN] [USAN] [Wiki]
cariprazinum [Latin] [INN]
N'-(trans-4-{2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl}cyclohexyl)-N,N-dimethylurea
Urea, N'-[trans-4-[2-[4-(2,3-dichlorophenyl)-1-piperazinyl]ethyl]cyclohexyl]-N,N-dimethyl- [ACD/Index Name]
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

8920 [DBID]
F6RJL8B278 [DBID]
RGH-188 [DBID]
UNII:F6RJL8B278 [DBID]
UNII-F6RJL8B278 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      N05AX15 Wikidata Q2938837

    • Chemical Class:

      An <element>N</element>-alkylpiperazine that is <element>N</element>,<element>N</element>-dimethyl-<element>N</element>'-{<stereo>trans</stereo>-4-[2-(piperazin-1-yl)ethyl]cyclohexyl}urea substituted at position 4 on the piperazine ring by a 2,3-dichlorophenyl group. Used (as the hydrochloride salt) for treatment of schizophrenia and bipolar disorder. ChEBI CHEBI:90933
      An N-alkylpiperazine that is N,N-dimethyl-N'-{trans-4-[2-(piperazin-1-yl)ethyl]cyclohexyl}urea substituted ; at position 4 on the piperazine ring by a 2,3-dichlorophenyl group. Used (as the hydrochlor ide salt) for treatment of schizophrenia and bipolar disorder. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:90933
      An N-alkylpiperazine that is N,N-dimethyl-N'-{trans-4-[2-(piperazin-1-yl)ethyl]cyclohexyl}urea substituted at position 4 on the piperazine ring by a 2,3-dichlorophenyl group. Used (as the hydrochlorid e salt) for treatment of schizophrenia and bipolar disorder. ChEBI CHEBI:90933

    • Bio Activity:

      Cariprazine(RGH188) is a novel antipsychotic drug candidate that exhibits high selectivity and affinity to dopamine D3(Ki=0.09 nM) and D2 (Ki=0.5 nM) receptors and moderate affinity to serotonin 5-HT( 1A) receptors. MedChem Express http://www.medchemexpress.com/AS-602801.html
      Cariprazine(RGH188) is a novel antipsychotic drug candidate that exhibits high selectivity and affinity to dopamine D3(Ki=0.09 nM) and D2 (Ki=0.5 nM) receptors and moderate affinity to serotonin 5-HT(1A) receptors. MedChem Express HY-14763
      Dopamine Receptor MedChem Express HY-14763
      GPCR/G protein MedChem Express HY-14763
      GPCR/G protein; Neuronal Signaling; MedChem Express HY-14763

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 600.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 316.7±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 117.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 43.27
ACD/KOC (pH 5.5): 155.67
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1554.90
ACD/KOC (pH 7.4): 5594.12
Polar Surface Area: 39 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 344.5±5.0 cm3

Click to predict properties on the Chemicalize site


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