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

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    Tomaymycin

    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: Tomaymycin, Gnf-pf-1072, Tomamycin, Z-tomaymycin, (z)-tomaymycin, Chembl580013
    Molecular Formula
    C16H20N2O4
    Molecular Weight
    304.34  g/mol
    InChI Key
    UQVNRKBFAXNOGA-OHLDGCSVSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (6R,6aS,8Z)-8-ethylidene-3-hydroxy-2,6-dimethoxy-6,6a,7,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
    2.1.2 InChI
    InChI=1S/C16H20N2O4/c1-4-9-5-12-15(22-3)17-11-7-13(19)14(21-2)6-10(11)16(20)18(12)8-9/h4,6-7,12,15,17,19H,5,8H2,1-3H3/b9-4-/t12-,15+/m0/s1
    2.1.3 InChI Key
    UQVNRKBFAXNOGA-OHLDGCSVSA-N
    2.1.4 Canonical SMILES
    CC=C1CC2C(NC3=CC(=C(C=C3C(=O)N2C1)OC)O)OC
    2.1.5 Isomeric SMILES
    C/C=C\1/C[C@H]2[C@H](NC3=CC(=C(C=C3C(=O)N2C1)OC)O)OC
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Tomaymycin

    2.2.2 Depositor-Supplied Synonyms

    1. Tomaymycin

    2. Gnf-pf-1072

    3. Tomamycin

    4. Z-tomaymycin

    5. (z)-tomaymycin

    6. Chembl580013

    7. Chebi:157681

    8. Chebi:167318

    9. 35050-55-6

    10. (2z,11r,11as)-2-ethylidene-8-hydroxy-7,11-dimethoxy-1,2,3,10,11,11a-hexahydro-5h-pyrrolo[2,1-c][1,4]benzodiazepin-5-one

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 304.34 g/mol
    Molecular Formula C16H20N2O4
    XLogP31.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count2
    Exact Mass304.14230712 g/mol
    Monoisotopic Mass304.14230712 g/mol
    Topological Polar Surface Area71 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity467
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anti-Bacterial Agents

    Substances that inhibit the growth or reproduction of BACTERIA. (See all compounds classified as Anti-Bacterial Agents.)

    Antibiotics, Antineoplastic

    Chemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms. (See all compounds classified as Antibiotics, Antineoplastic.)

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