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    CAS 482577-59-3
    Also known as: 482577-59-3, N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-l-valine methyl ester hydrochloride, (s)-methyl 2-(((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)amino)-3-methylbutanoate hcl, N-(2'-cyanobiphenyl-4-ylmethyl)-l-valine methyl ester hydrochloride, Methyl (2s)-2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-methylbutanoate;hydrochloride, Schembl3526296
    Molecular Formula
    C20H23ClN2O2
    Molecular Weight
    358.9  g/mol
    InChI Key
    AZQXUWUZQLZNIM-FYZYNONXSA-N
    1 2D Structure

    CAS 482577-59-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl (2S)-2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-methylbutanoate;hydrochloride
    2.1.2 InChI
    InChI=1S/C20H22N2O2.ClH/c1-14(2)19(20(23)24-3)22-13-15-8-10-16(11-9-15)18-7-5-4-6-17(18)12-21;/h4-11,14,19,22H,13H2,1-3H3;1H/t19-;/m0./s1
    2.1.3 InChI Key
    AZQXUWUZQLZNIM-FYZYNONXSA-N
    2.1.4 Canonical SMILES
    CC(C)C(C(=O)OC)NCC1=CC=C(C=C1)C2=CC=CC=C2C#N.Cl
    2.1.5 Isomeric SMILES
    CC(C)[C@@H](C(=O)OC)NCC1=CC=C(C=C1)C2=CC=CC=C2C#N.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 482577-59-3

    2. N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-l-valine Methyl Ester Hydrochloride

    3. (s)-methyl 2-(((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)amino)-3-methylbutanoate Hcl

    4. N-(2'-cyanobiphenyl-4-ylmethyl)-l-valine Methyl Ester Hydrochloride

    5. Methyl (2s)-2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-methylbutanoate;hydrochloride

    6. Schembl3526296

    7. Dtxsid90587774

    8. Bcp12021

    9. Mfcd08460094

    10. Akos015896156

    11. Methyl ((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-l-valinate Hydrochloride

    12. Cs-w014480

    13. Hy-w013764

    14. (s)-methyl 2-(((2`-cyano-[1,1`-biphenyl]-4-yl)methyl)amino)-3-methylbutanoate Hydrochloride

    15. As-74409

    16. F11554

    17. N-(2'-cyanobiphenyl-4-ylmethyl)-l-valine Methyl Ester Hcl

    18. N-(2\'-cyanobiphenyl-4-ylmethyl)-l-valine Methyl Ester Hydrochloride

    19. N-[(2'-cyanobiphenyl-4-yl) Methyl]-(l)-valine Methyl Ester Hydrochloride

    20. N-[(2'-cyanobiphenyl-4-yl)methyl]-(l)-valine Methyl Ester Hydrochloride

    21. N-[(2'-cyanobiphenyl-4-yl)methyl]-(l)-valinemethyl Ester Hydrochloride

    22. (s)-methyl 2-(((2-cyano-[1,1-biphenyl]-4-yl)methyl)amino)-3-methylbutanoate Hcl

    23. L-valine,n-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-,methyl Ester,hydrochloride(1:1)

    24. Methyl N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-l-valinate--hydrogen Chloride (1/1)

    25. (s)-methyl 2-(((2'-cyano-[1,1'-biphenyl]-4-yl)-methyl)amino)-3-methylbutanoate Hydrochloride

    26. Methyl (2s)-2-[({2'-cyano-[1,1'-biphenyl]-4-yl}methyl)amino]-3-methylbutanoate Hydrochloride

    2.3 Create Date
    2007-10-09
    3 Chemical and Physical Properties
    Molecular Weight 358.9 g/mol
    Molecular Formula C20H23ClN2O2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count7
    Exact Mass358.1448057 g/mol
    Monoisotopic Mass358.1448057 g/mol
    Topological Polar Surface Area62.1 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity446
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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    Alembic Limited

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    N-[(2-Cynobiphenyl-4-yl)methyl]-(L)...
    Established in 1907, Alembic Pharmaceuticals Limited is a leading pharmaceutical company in India. The Co...
    Established in 1907, Alembic Pharmaceuticals Limited is a leading pharmaceutical company in India. The Company is vertically integrated with the ability to develop, manufacture and market pharmaceutical products, pharmaceutical substances and Intermediates.
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      Lofty Laboratories was founded in 2005 with a focus on creating an impact in pharmaceutics value chain. T...
      Lofty Laboratories was founded in 2005 with a focus on creating an impact in pharmaceutics value chain. Today we are a leading pharmaceutical bulk drug manufacturer of Intermediates, Advanced Intermediates. Innovation has been forefront of our approach, powered by highly qualified teams and the use of cutting-edge technology. We are a USFDA-approved (USFDA FEI No: 3014053359) company and are continuously expanding our product portfolio and our business to international markets.
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        Syntame is a Pharm- Heatlh technology company jointly sponsored by two PhD from Hong Kong Polytechnic Uni...
        Syntame is a Pharm- Heatlh technology company jointly sponsored by two PhD from Hong Kong Polytechnic University & Zhejiang University. We always focus on the market & customer needs, committee to researching, developing & marketing innovative products & services of pharmaceutical & health. Our Pharmaceutical Division: Committed to the R&D, promotion, distribution of APIs & intermediates, to provide various innovative products & technical solutions for China & global pharmaceutical markets. Our Health Division: Continuously tapping the natural active ingredients, combining traditional Chinese medicine theory, to develop functional foods.
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        Established in 2000, Shodhana Laboratories offers a wide range of APIs and intermediates and caters to th...
        Established in 2000, Shodhana Laboratories offers a wide range of APIs and intermediates and caters to the generic and custom requirements of some of the most prestigious pharma companies. It is WHO-GMP, ISO 9001-2008 and ISO 14000:2004 certified. Shodhana develops quality products through cutting-edge research, expertise and the best drug manufacturing practices. Its manufacturing processes are as per ICH guidelines and cGMP-compliant. Shodhana also has a world-class R&D lab manned by a team of highly qualified scientists. Shodhana exports the highest-quality APIs and intermediates to markets across several countries.
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        Zhejiang Huahai Pharmaceuticals Co., Ltd.was initially founded in 1989, and the company's stock was succe...
        Zhejiang Huahai Pharmaceuticals Co., Ltd.was initially founded in 1989, and the company's stock was successfully listed in Shanghai Stock Exchange in March, 2003. Huahai Pharmaceuticals, a large scaled modern pharmaceutical group that integrates fomulations, APIs(Active Pharmaceutical Ingredients) and intermediates, is developing both domestic and international markets, and performing parallel development of science, industry and commerce. With a total asset of 1,900 million yuan, the company has 11branches (subsidiaries) in the United States, Shanghai, Hangzhou, and Linhai.
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          N-(2'-CyanobiphenyI-4-yImethyI)-L-v...
          Zhuhai Rundu Pharmaceutical Co., Ltd. is a modern scientific and technological pharmaceutical enterprise ...
          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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