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    Technical details about ETX0462, learn more about the structure, uses, toxicity, action, side effects and more

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    ETX0462

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    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

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    2D Structure
    1. Also known as: Vmm, Gtpl11753, Etx-0462, (4r,7s)-7-(n'-hydroxy-n-methylcarbamimidoyl)-1-methyl-4-[(sulfooxy)amino]-1,4,5,7-tetrahydro-6h-pyrazolo[3,4-c]pyridine-6-carboxylic acid
    Molecular Formula
    C10H16N6O7S
    Molecular Weight
    364.34  g/mol
    InChI Key
    TVYRNFNEBLNAMJ-XPUUQOCRSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4R,7S)-7-(N-hydroxy-N'-methylcarbamimidoyl)-1-methyl-4-(sulfooxyamino)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylic acid
    2.1.2 InChI
    InChI=1S/C10H16N6O7S/c1-11-9(13-19)8-7-5(3-12-15(7)2)6(4-16(8)10(17)18)14-23-24(20,21)22/h3,6,8,14,19H,4H2,1-2H3,(H,11,13)(H,17,18)(H,20,21,22)/t6-,8-/m0/s1
    2.1.3 InChI Key
    TVYRNFNEBLNAMJ-XPUUQOCRSA-N
    2.1.4 Canonical SMILES
    CN=C(C1C2=C(C=NN2C)C(CN1C(=O)O)NOS(=O)(=O)O)NO
    2.1.5 Isomeric SMILES
    CN=C([C@@H]1C2=C(C=NN2C)[C@H](CN1C(=O)O)NOS(=O)(=O)O)NO
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Vmm

    2. Gtpl11753

    3. Etx-0462

    4. (4r,7s)-7-(n'-hydroxy-n-methylcarbamimidoyl)-1-methyl-4-[(sulfooxy)amino]-1,4,5,7-tetrahydro-6h-pyrazolo[3,4-c]pyridine-6-carboxylic Acid

    2.3 Create Date
    2021-05-28
    3 Chemical and Physical Properties
    Molecular Weight 364.34 g/mol
    Molecular Formula C10H16N6O7S
    XLogP3-5.1
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count5
    Exact Mass364.08011804 g/mol
    Monoisotopic Mass364.08011804 g/mol
    Topological Polar Surface Area187 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity607
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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