loader
Please Wait
Applying Filters...

Renejix CDMO Partner for Small Molecule Oral Dosage Forms Renejix CDMO Partner for Small Molecule Oral Dosage Forms

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about CAS 146464-91-7, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    CAS 146464-91-7

    Manufacturers/Suppliers

    PharmaCompass

    Biophore is a research-driven global pharmaceutical company focused on niche APIs for the generic industry.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    1. Also known as: 146464-91-7, 6-pteridinepropanoic acid, 2,4-diamino-alpha-[4-(methoxycarbonyl)phenyl]-alpha-2-propyn-1-yl-, methyl ester, Methyl 4-[2-[(2,4-diaminopteridin-6-yl)methyl]-1-methoxy-1-oxopent-4-yn-2-yl]benzoate, 2,4-diamino-alpha-[4-(methoxycarbonyl)phenyl]-alpha-2-propynyl-6-pteridinepropanoic acid methyl ester, 6-pteridinepropanoic acid, 2,4-diamino-, A-[4-(methoxycarbonyl)phenyl]-
    Molecular Formula
    C21H20N6O4
    Molecular Weight
    420.4  g/mol
    InChI Key
    DDPOXTVFAFZLJO-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 4-[2-[(2,4-diaminopteridin-6-yl)methyl]-1-methoxy-1-oxopent-4-yn-2-yl]benzoate
    2.1.2 InChI
    InChI=1S/C21H20N6O4/c1-4-9-21(19(29)31-3,13-7-5-12(6-8-13)18(28)30-2)10-14-11-24-17-15(25-14)16(22)26-20(23)27-17/h1,5-8,11H,9-10H2,2-3H3,(H4,22,23,24,26,27)
    2.1.3 InChI Key
    DDPOXTVFAFZLJO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC(=O)C1=CC=C(C=C1)C(CC#C)(CC2=CN=C3C(=N2)C(=NC(=N3)N)N)C(=O)OC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 146464-91-7

    2. 6-pteridinepropanoic Acid, 2,4-diamino-alpha-[4-(methoxycarbonyl)phenyl]-alpha-2-propyn-1-yl-, Methyl Ester

    3. Methyl 4-[2-[(2,4-diaminopteridin-6-yl)methyl]-1-methoxy-1-oxopent-4-yn-2-yl]benzoate

    4. 2,4-diamino-alpha-[4-(methoxycarbonyl)phenyl]-alpha-2-propynyl-6-pteridinepropanoic Acid Methyl Ester

    5. 6-pteridinepropanoic Acid, 2,4-diamino-

    6. A-[4-(methoxycarbonyl)phenyl]-

    7. A-2-propyn-1-yl-, Methyl Ester

    8. Methyl 4-{2-[(2,4-diaminopteridin-6-yl)methyl]-1-methoxy-1-oxopent-4-yn-2-yl}benzoate

    9. Schembl15055178

    10. Dtxsid60447876

    11. Cs-m1831

    12. Akos037650012

    13. Cs-14079

    14. C12061

    15. Methyl4-(2-((2,4-diaminopteridin-6-yl)methyl)-1-methoxy-1-oxopent-4-yn-2-yl)benzoate

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 420.4 g/mol
    Molecular Formula C21H20N6O4
    XLogP31.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count8
    Exact Mass420.15460314 g/mol
    Monoisotopic Mass420.15460314 g/mol
    Topological Polar Surface Area156 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity703
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY