Aripiprazole EP Impurity B - CAS 41202-77-1
Catalog: |
BB024815 |
Product Name: |
Aripiprazole EP Impurity B |
CAS: |
41202-77-1 |
Synonyms: |
DCPP; 1-(2,3-Dichlorophenyl)-piperazine; 2,3-Dichlorophenylpiperazine |
IUPAC Name: | 1-(2,3-dichlorophenyl)piperazine |
Description: | An impurity of Aripiprazole, an atypical antipsychotic used to treat schizophrenia. |
Molecular Weight: | 231.12 |
Molecular Formula: | C10H12Cl2N2 |
Canonical SMILES: | C1CN(CCN1)C2=C(C(=CC=C2)Cl)Cl |
InChI: | InChI=1S/C10H12Cl2N2/c11-8-2-1-3-9(10(8)12)14-6-4-13-5-7-14/h1-3,13H,4-7H2 |
InChI Key: | UDQMXYJSNNCRAS-UHFFFAOYSA-N |
Boiling Point: | 365.1 °C at 760 mmHg |
Melting Point: | 239-242 °C |
Density: | 1.272 g/cm3 |
MDL: | MFCD01075181 |
LogP: | 2.79680 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
DE-202021000895-U1 | Biocide-impregnated, reticulated foams | 20210223 |
CN-112300094-A | Substituted benzoyl piperazine compounds and application thereof in preparation of anti-chikungunya virus medicines | 20201124 |
CN-112430223-A | Substituted benzoyl piperazine compounds and application thereof | 20201124 |
DE-202020105696-U1 | Mobile device for cleaning and disinfecting room air that can be operated by a temperature difference and a test device for this | 20201004 |
DE-202020105699-U1 | Mobile device for cleaning and disinfecting room air that can be operated using a temperature difference | 20201004 |
PMID | Publication Date | Title | Journal |
28846380 | 20171020 | Structure-Guided Screening for Functionally Selective D2 Dopamine Receptor Ligands from a Virtual Chemical Library | ACS chemical biology |
22632094 | 20120809 | Molecular determinants of selectivity and efficacy at the dopamine D3 receptor | Journal of medicinal chemistry |
22809299 | 20120809 | A straightforward approach for engineering efficacy and selectivity at GPCRs | Journal of medicinal chemistry |
22558126 | 20120101 | Synthesis and evaluation of a series of 2-substituted-5-thiopropylpiperazine (piperidine)-1,3,4-oxadiazoles derivatives as atypical antipsychotics | PloS one |
20688331 | 20100903 | Characterization of racemization of chiral pesticides in organic solvents and water | Journal of chromatography. A |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.0377538 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.0377538 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 15.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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