loader
Please Wait
Applying Filters...

Evonik Evonik

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

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

    Client Email Product
    Menu

    7-Cyanoquinocarcinol

    APIs // Active Pharmaceutical Ingredients

    PharmaCompass

    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

    Temad- We think of world-class quality.

    2D Structure
    1. Also known as:
    Molecular Formula
    C19H23N3O4
    Molecular Weight
    357.4  g/mol
    InChI Key
    YGWHMSNGVVTUIT-TYNQBDINSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1R,2S,10R,13S)-12-cyano-10-(hydroxymethyl)-8-methoxy-16-methyl-11,16-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4(9),5,7-triene-15-carboxylic acid
    2.1.2 InChI
    InChI=1S/C19H23N3O4/c1-21-12-7-11(19(24)25)18(21)13-6-10-4-3-5-16(26-2)17(10)15(9-23)22(13)14(12)8-20/h3-5,11-15,18,23H,6-7,9H2,1-2H3,(H,24,25)/t11?,12-,13-,14?,15-,18+/m0/s1
    2.1.3 InChI Key
    YGWHMSNGVVTUIT-TYNQBDINSA-N
    2.1.4 Canonical SMILES
    CN1C2CC(C1C3CC4=C(C(N3C2C#N)CO)C(=CC=C4)OC)C(=O)O
    2.1.5 Isomeric SMILES
    CN1[C@H]2CC([C@@H]1[C@@H]3CC4=C([C@@H](N3C2C#N)CO)C(=CC=C4)OC)C(=O)O
    2.2 Create Date
    2006-04-28
    3 Chemical and Physical Properties
    Molecular Weight 357.4 g/mol
    Molecular Formula C19H23N3O4
    XLogP3-1.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count3
    Exact Mass357.16885622 g/mol
    Monoisotopic Mass357.16885622 g/mol
    Topological Polar Surface Area97 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity619
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY