Please Wait
Applying Filters...
menu
    • menu
    DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

    Virtual Booth

    Contact Supplier

    Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-10-07

    Virtual Booth

    Contact Supplier

    With Fermion, start the journey of your innovative API.

    Virtual Booth

    Contact Supplier

    Bloomage is a one-stop source for CEP Sodium Hyaluronate and Hyaluronic Acid// FDA-inspected & GMP-certified.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-10-07

    Virtual Booth

    Contact Supplier

    Menu

    CAS 61338-13-4

    BUILDING BLOCK

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: 61338-13-4, 1-(3-carboxypyrid-2-yl)-2-phenyl-4-methyl-piperazine, 2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carboxylic acid, 1-(3-carboxy-2-pyridyl)-4-methyl-2-phenylpiperazine, U8bg6txq6l, Mirtazapine carboxylic acid
    Molecular Formula
    C17H19N3O2
    Molecular Weight
    297.35  g/mol
    InChI Key
    HCVDLMUVEGPGGH-UHFFFAOYSA-N
    FDA UNII
    U8BG6TXQ6L
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carboxylic acid
    2.1.2 InChI
    InChI=1S/C17H19N3O2/c1-19-10-11-20(15(12-19)13-6-3-2-4-7-13)16-14(17(21)22)8-5-9-18-16/h2-9,15H,10-12H2,1H3,(H,21,22)
    2.1.3 InChI Key
    HCVDLMUVEGPGGH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1CCN(C(C1)C2=CC=CC=C2)C3=C(C=CC=N3)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    U8BG6TXQ6L
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 61338-13-4

    2. 1-(3-carboxypyrid-2-yl)-2-phenyl-4-methyl-piperazine

    3. 2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carboxylic Acid

    4. 1-(3-carboxy-2-pyridyl)-4-methyl-2-phenylpiperazine

    5. U8bg6txq6l

    6. Mirtazapine Carboxylic Acid

    7. 1-(3-carboxypyridyl-2)-2-phenyl-4-methyl Piperazine

    8. 3-pyridinecarboxylic Acid, 2-(4-methyl-2-phenyl-1-piperazinyl)-

    9. 2-(4-methyl-2-phenyl-1-piperazinyl)-3-pyridinecarboxylic Acid

    10. Unii-u8bg6txq6l

    11. 1-(3-carboxypyrid-2-yl)-2-phenyl-4-methylpiperazine

    12. Schembl1711306

    13. Amy5252

    14. Dtxsid10431664

    15. Mfcd08458719

    16. Akos000214602

    17. Akos016843670

    18. Ds-5207

    19. Ac-28316

    20. Cs-0061768

    21. Ft-0664345

    22. I10631

    23. 2-(4-methyl-2-phenylpiperazin-1-yl)nicotinicacid

    24. 338c134

    25. A868736

    26. 2-(4-methyl-2-phenylpiperazino)-3-pyridinecarboxylic Acid

    27. 2-(4-methyl-2-phenylpiperazin-1-yl) Pyridine-3-carboxylic Acid

    28. 1-(3-carboxy-2-pyridyl)-4-methyl-2-phenylpiperazine; 2-(4-methyl-2-phenyl-1-piperazinyl)-3-pyridinecarboxylic Acid

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 297.35 g/mol
    Molecular Formula C17H19N3O2
    XLogP3-0.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass297.147726857 g/mol
    Monoisotopic Mass297.147726857 g/mol
    Topological Polar Surface Area56.7 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity384
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1