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    Technical details about ONX-0801, learn more about the structure, uses, toxicity, action, side effects and more

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    ONX 0801

    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:
    Molecular Formula
    C32H33N5O10
    Molecular Weight
    647.6  g/mol
    InChI Key
    NVHRBQOZEMFKLD-CUYJMHBOSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R)-2-[[(4S)-4-carboxy-4-[[4-[[(6S)-2-(hydroxymethyl)-4-oxo-1,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl]-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid
    2.1.2 InChI
    InChI=1S/C32H33N5O10/c1-2-13-37(25-10-5-18-14-24-21(15-20(18)25)30(43)36-26(16-38)33-24)19-6-3-17(4-7-19)29(42)35-23(32(46)47)8-11-27(39)34-22(31(44)45)9-12-28(40)41/h1,3-4,6-7,14-15,22-23,25,38H,5,8-13,16H2,(H,34,39)(H,35,42)(H,40,41)(H,44,45)(H,46,47)(H,33,36,43)/t22-,23+,25+/m1/s1
    2.1.3 InChI Key
    NVHRBQOZEMFKLD-CUYJMHBOSA-N
    2.1.4 Canonical SMILES
    C#CCN(C1CCC2=CC3=C(C=C12)C(=O)N=C(N3)CO)C4=CC=C(C=C4)C(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O
    2.1.5 Isomeric SMILES
    C#CCN([C@H]1CCC2=CC3=C(C=C12)C(=O)N=C(N3)CO)C4=CC=C(C=C4)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O
    2.2 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 647.6 g/mol
    Molecular Formula C32H33N5O10
    XLogP30.2
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count15
    Exact Mass647.22274227 g/mol
    Monoisotopic Mass647.22274227 g/mol
    Topological Polar Surface Area235 A^2
    Heavy Atom Count47
    Formal Charge0
    Complexity1300
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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