loader
Please Wait
Applying Filters...
Close
4

Seqens Seqens

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

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

    Client Email Product
    Menu

    Elbasvir

    APIs // Active Pharmaceutical Ingredients

    INTERMEDIATES

    DOSSIERs // Finished Dosage Forms

    RELATED EXCIPIENT COMPANIES

    EXCIPIENTS BY APPLICATIONS

    GLOBAL SALES INFORMATION

    MARKET PLACE

    PATENTS

    DIGITAL CONTENT

    PharmaCompass

    PharmaCompass Sponsored Ads

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

    2D Structure
    Also known as: Dtxsid10160043, Akos025401976, Ac-27741, Ac-28948
    Molecular Formula
    C49H55N9O7
    Molecular Weight
    882.0  g/mol
    InChI Key
    UXXFHLOGQYUBLD-JFOPJMDSSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl N-[(2S)-1-[(2S)-2-[4-[(6S)-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-4H-imidazol-4-yl]-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-2H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
    2.1.2 InChI
    InChI=1S/C49H55N9O7/c1-27(2)41(54-48(61)63-5)45(59)56-20-10-14-37(56)43-50-25-34(52-43)30-17-19-36-32(22-30)23-39-33-18-16-31(24-40(33)65-47(58(36)39)29-12-8-7-9-13-29)35-26-51-44(53-35)38-15-11-21-57(38)46(60)42(28(3)4)55-49(62)64-6/h7-9,12-13,16-19,22-28,35,37-38,41-43,47H,10-11,14-15,20-21H2,1-6H3,(H,54,61)(H,55,62)/t35?,37-,38-,41-,42-,43?,47-/m0/s1
    2.1.3 InChI Key
    UXXFHLOGQYUBLD-JFOPJMDSSA-N
    2.1.4 Canonical SMILES
    CC(C)C(C(=O)N1CCCC1C2N=CC(=N2)C3=CC4=C(C=C3)N5C(OC6=C(C5=C4)C=CC(=C6)C7C=NC(=N7)C8CCCN8C(=O)C(C(C)C)NC(=O)OC)C9=CC=CC=C9)NC(=O)OC
    2.1.5 Isomeric SMILES
    CC(C)[C@@H](C(=O)N1CCC[C@H]1C2N=CC(=N2)C3=CC4=C(C=C3)N5[C@@H](OC6=C(C5=C4)C=CC(=C6)C7C=NC(=N7)[C@@H]8CCCN8C(=O)[C@H](C(C)C)NC(=O)OC)C9=CC=CC=C9)NC(=O)OC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Dtxsid10160043

    2. Akos025401976

    3. Ac-27741

    4. Ac-28948

    2.3 Create Date
    2013-09-21
    3 Chemical and Physical Properties
    Molecular Weight 882.0 g/mol
    Molecular Formula C49H55N9O7
    XLogP35.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count13
    Exact Mass881.42244513 g/mol
    Monoisotopic Mass881.42244513 g/mol
    Topological Polar Surface Area181 Ų
    Heavy Atom Count65
    Formal Charge0
    Complexity1900
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY