loader
Please Wait
Applying Filters...

AbbVie Header AbbVie Header

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about CAS 1335210-25-7, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    CAS 1335210-25-7

    Manufacturers/Suppliers

    PharmaCompass

    Naprod is a top player in Oncology & Anesthesia FDF through excellent innovation, discovery of new processes & high-quality production.

    Skyepharma, an Expert and Innovative CDMO Partner for tailor-made solutions in complex oral solids and bioproduction.

    2D Structure
    1. Also known as: 1335210-25-7, (3s,11ar)-n-(2,4-difluorobenzyl)-6-methoxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide, Schembl12319477, Mfcd29059072, Zinc199451366, (3s,11ar)-n-[(2,4-difluorophenyl)methyl]-3-methyl-6-(methyloxy)-5,7-dioxo-2,3,5,7,11,11a-hexahydro[1,3]oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide
    Molecular Formula
    C20H19F2N3O5
    Molecular Weight
    419.4  g/mol
    InChI Key
    OMCFLPVOHDWRNN-ZUZCIYMTSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3R,6S)-N-[(2,4-difluorophenyl)methyl]-10-methoxy-6-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide
    2.1.2 InChI
    InChI=1S/C20H19F2N3O5/c1-10-9-30-15-8-24-7-13(17(26)18(29-2)16(24)20(28)25(10)15)19(27)23-6-11-3-4-12(21)5-14(11)22/h3-5,7,10,15H,6,8-9H2,1-2H3,(H,23,27)/t10-,15+/m0/s1
    2.1.3 InChI Key
    OMCFLPVOHDWRNN-ZUZCIYMTSA-N
    2.1.4 Canonical SMILES
    CC1COC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)OC
    2.1.5 Isomeric SMILES
    C[C@H]1CO[C@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)OC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1335210-25-7

    2. (3s,11ar)-n-(2,4-difluorobenzyl)-6-methoxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide

    3. Schembl12319477

    4. Mfcd29059072

    5. Zinc199451366

    6. (3s,11ar)-n-[(2,4-difluorophenyl)methyl]-3-methyl-6-(methyloxy)-5,7-dioxo-2,3,5,7,11,11a-hexahydro[1,3]oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide

    7. F11514

    2.3 Create Date
    2011-10-31
    3 Chemical and Physical Properties
    Molecular Weight 419.4 g/mol
    Molecular Formula C20H19F2N3O5
    XLogP31.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count4
    Exact Mass419.12927704 g/mol
    Monoisotopic Mass419.12927704 g/mol
    Topological Polar Surface Area88.2 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity829
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY