loader
Please Wait
Applying Filters...

Suanfarma Suanfarma

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about Simufilam, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    Simufilam

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass

    Inke S.A: APIs manufacturing plant.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    1. Also known as: Simufilam [usan], Pti-125, Pti-910, C0105, 6nv440yio0, C0105m
    Molecular Formula
    C15H21N3O
    Molecular Weight
    259.35  g/mol
    InChI Key
    BSQPTZYKCAULBH-UHFFFAOYSA-N
    FDA UNII
    6NV440YIO0
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one
    2.1.2 InChI
    InChI=1S/C15H21N3O/c1-17-9-7-15(8-10-17)16-11-14(19)18(15)12-13-5-3-2-4-6-13/h2-6,16H,7-12H2,1H3
    2.1.3 InChI Key
    BSQPTZYKCAULBH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1CCC2(CC1)NCC(=O)N2CC3=CC=CC=C3
    2.2 Other Identifiers
    2.2.1 UNII
    6NV440YIO0
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4-benzyl-8-methyl-1,4,8-triazaspiro(4.5)decan-3-one

    2. Pti-125

    2.3.2 Depositor-Supplied Synonyms

    1. Simufilam [usan]

    2. Pti-125

    3. Pti-910

    4. C0105

    5. 6nv440yio0

    6. C0105m

    7. C-0105

    8. 1224591-33-6

    9. 1-benzyl-8-methyl-1,4,8-triazaspiro(4.5)decan-2-one

    10. 1,4,8-triazaspiro(4.5)decan-2-one, 8-methyl-1-(phenylmethyl)-

    11. 1-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one

    12. Simufilam [inn]

    13. Unii-6nv440yio0

    14. Chembl4650230

    15. Schembl12627054

    16. Ex-a5320

    17. Who 11778

    18. Hy-139142

    19. Cs-0179880

    2.4 Create Date
    2010-07-06
    3 Chemical and Physical Properties
    Molecular Weight 259.35 g/mol
    Molecular Formula C15H21N3O
    XLogP31.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass259.168462302 g/mol
    Monoisotopic Mass259.168462302 g/mol
    Topological Polar Surface Area35.6 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity330
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY