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    CAS 1397836-41-7

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    CAS 1397836-41-7
    Also known as: 1397836-41-7, Schembl17695745, Schembl17998734, Mfcd28404673, Ethyl 2-ethoxy-1-((2-(n-hydroxycarbamimidoyl)biphenyl-4-yl)methyl)-1h-benzo[d]imidazole-7-carboxylate, (z)-ethyl-2-ethoxy-3-((2-(n-hydroxycarbamimidoyl) biphenyl-4-yl) methyl)-3h-benzo[d] imidazole-4-carboxylate
    Molecular Formula
    C26H26N4O4
    Molecular Weight
    458.5  g/mol
    InChI Key
    DVODSSZMOBIHGO-UHFFFAOYSA-N
    1 2D Structure

    CAS 1397836-41-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 2-ethoxy-3-[[4-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]phenyl]methyl]benzimidazole-4-carboxylate
    2.1.2 InChI
    InChI=1S/C26H26N4O4/c1-3-33-25(31)21-10-7-11-22-23(21)30(26(28-22)34-4-2)16-17-12-14-18(15-13-17)19-8-5-6-9-20(19)24(27)29-32/h5-15,32H,3-4,16H2,1-2H3,(H2,27,29)
    2.1.3 InChI Key
    DVODSSZMOBIHGO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=NO)N)C(=O)OCC
    2.1.5 Isomeric SMILES
    CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4/C(=N/O)/N)C(=O)OCC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1397836-41-7

    2. Schembl17695745

    3. Schembl17998734

    4. Mfcd28404673

    5. Ethyl 2-ethoxy-1-((2-(n-hydroxycarbamimidoyl)biphenyl-4-yl)methyl)-1h-benzo[d]imidazole-7-carboxylate

    6. (z)-ethyl-2-ethoxy-3-((2-(n-hydroxycarbamimidoyl) Biphenyl-4-yl) Methyl)-3h-benzo[d] Imidazole-4-carboxylate

    7. Ethyl 2-ethoxy-1-((2'-(n'-hydroxycarbamimidoyl)biphenyl-4-yl)methyl)-1h-benzo[d]imidazole-7-carboxylate

    8. Ethyl2-ethoxy-1-((2'-(n'-hydroxycarbamimidoyl)-[1,1'-biphenyl]-4-yl)methyl)-1h-benzo[d]imidazole-7-carboxylate

    2.3 Create Date
    2012-10-08
    3 Chemical and Physical Properties
    Molecular Weight 458.5 g/mol
    Molecular Formula C26H26N4O4
    XLogP34.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count9
    Exact Mass458.19540532 g/mol
    Monoisotopic Mass458.19540532 g/mol
    Topological Polar Surface Area112 Ų
    Heavy Atom Count34
    Formal Charge0
    Complexity696
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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                                          Zhuhai Rundu Pharmaceutical Co., Ltd. is a modern scientific and technological pharmaceutical enterprise integrating drug research and development, production, and sales. It is located in Jinwan District, Zhuhai City, Guangdong Province. It was established in 1999. On January 5, 2018, the company was listed on the Shenzhen Stock Exchange (stock abbreviation: Rundu; stock code: 002923). The company's main business is the research and development, production, and sales of chemical-pharmaceutical preparations, chemical raw materials, and pharmaceutical intermediates. field.
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                                            Zhuhai Rundu Pharmaceutical Co., Ltd. is a modern scientific and technological pharmaceutical enterprise integrating drug research and development, production, and sales. It is located in Jinwan District, Zhuhai City, Guangdong Province. It was established in 1999. On January 5, 2018, the company was listed on the Shenzhen Stock Exchange (stock abbreviation: Rundu; stock code: 002923). The company's main business is the research and development, production, and sales of chemical-pharmaceutical preparations, chemical raw materials, and pharmaceutical intermediates. field.
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