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    CAS 41202-77-1

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 41202-77-1, Dcpp, 2,3-dichlorophenylpiperazine, 1-(2,3-dichlorophenyl)-piperazine, Piperazine, 1-(2,3-dichlorophenyl)-, N-(2,3-dichlorophenyl)piperazine
    Molecular Formula
    C10H12Cl2N2
    Molecular Weight
    231.12  g/mol
    InChI Key
    UDQMXYJSNNCRAS-UHFFFAOYSA-N
    FDA UNII
    891W3EV0B1
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(2,3-dichlorophenyl)piperazine
    2.1.2 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
    2.1.3 InChI Key
    UDQMXYJSNNCRAS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN(CCN1)C2=C(C(=CC=C2)Cl)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    891W3EV0B1
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4,4-dicarboxy-5-pyridoxylproline

    2. Dcpp

    2.3.2 Depositor-Supplied Synonyms

    1. 41202-77-1

    2. Dcpp

    3. 2,3-dichlorophenylpiperazine

    4. 1-(2,3-dichlorophenyl)-piperazine

    5. Piperazine, 1-(2,3-dichlorophenyl)-

    6. N-(2,3-dichlorophenyl)piperazine

    7. 4-(2,3-dichlorophenyl)piperazine

    8. (2,3-dichlorophenyl)piperazine

    9. Chembl1424807

    10. 891w3ev0b1

    11. Mfcd01075181

    12. Unii-891w3ev0b1

    13. Mls000550163

    14. 1-(2,3-dichlorophenyl) Piperazine

    15. Ec 609-896-3

    16. Schembl8511

    17. 2,3 Dichlorophenyl Piperazine

    18. 2,3-dichlorophenyl Piperazine

    19. 1-(2,3dichlorophenyl)piperazine

    20. Dtxsid90961499

    21. Hms2415o17

    22. Zinc386729

    23. 1-(2,3-dichlorphenyl)-piperazine

    24. Ac-328

    25. Bdbm50394930

    26. 1-(2,3-dichloro-phenyl)-piperazine

    27. Akos009158229

    28. Gf-0124

    29. Smr000115758

    30. Sy005285

    31. Db-025250

    32. Am20090770

    33. Aripiprazole Impurity B [ep Impurity]

    34. Ft-0605474

    35. Aq-360/42118436

    36. Q4596761

    2.4 Create Date
    2005-07-09
    3 Chemical and Physical Properties
    Molecular Weight 231.12 g/mol
    Molecular Formula C10H12Cl2N2
    XLogP32.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass230.0377538 g/mol
    Monoisotopic Mass230.0377538 g/mol
    Topological Polar Surface Area15.3 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity183
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 Metabolism/Metabolites

    2,3-dichlorophenylpiperazine is a known human metabolite of aripiprazole.

    S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560