loader
Please Wait
Applying Filters...

Euroapi Company Header Euroapi Company Header

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

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

    Client Email Product
    Menu

    Cenicriviroc Sulfone

    DEVELOPMENTS

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: Schembl3458860, 1-benzazocine-5-carboxamide, 8-[4-(2-butoxyethoxy)phenyl]-1,2,3,4-tetrahydro-1-(2-methylpropyl)-n-[4-[[(1-propyl-1h-imidazol-5-yl)methyl]sulfonyl]phenyl]-, (5e)-
    Molecular Formula
    C41H52N4O5S
    Molecular Weight
    712.9  g/mol
    InChI Key
    YOVMNAUMMNWXGM-JJNGWGCYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (5E)-8-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-N-[4-[(3-propylimidazol-4-yl)methylsulfonyl]phenyl]-3,4-dihydro-2H-1-benzazocine-5-carboxamide
    2.1.2 InChI
    InChI=1S/C41H52N4O5S/c1-5-7-22-49-23-24-50-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)51(47,48)29-37-27-42-30-45(37)20-6-2/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46)/b34-26+
    2.1.3 InChI Key
    YOVMNAUMMNWXGM-JJNGWGCYSA-N
    2.1.4 Canonical SMILES
    CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCCC(=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)CC5=CN=CN5CCC)CC(C)C
    2.1.5 Isomeric SMILES
    CCCCOCCOC1=CC=C(C=C1)C2=CC/3=C(C=C2)N(CCC/C(=C3)/C(=O)NC4=CC=C(C=C4)S(=O)(=O)CC5=CN=CN5CCC)CC(C)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Schembl3458860

    2. 1-benzazocine-5-carboxamide, 8-[4-(2-butoxyethoxy)phenyl]-1,2,3,4-tetrahydro-1-(2-methylpropyl)-n-[4-[[(1-propyl-1h-imidazol-5-yl)methyl]sulfonyl]phenyl]-, (5e)-

    2.3 Create Date
    2005-10-07
    3 Chemical and Physical Properties
    Molecular Weight 712.9 g/mol
    Molecular Formula C41H52N4O5S
    XLogP37.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count17
    Exact Mass712.36584195 g/mol
    Monoisotopic Mass712.36584195 g/mol
    Topological Polar Surface Area111 Ų
    Heavy Atom Count51
    Formal Charge0
    Complexity1170
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY