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    CAS 376608-71-8
    Also known as: 376608-71-8, (1r,2s)-2-(3,4-difluorophenyl)cyclopropanaminium (2r)-hydroxy(phenyl)ethanoate, Th0osf4lf9, (1r,2s)-2-(3,4-difluorophenyl)cyclopropanamine (2r)-hydroxy(phenyl)ethanoate, (1r,2s)-2-(3,4-difluorophenyl)cyclopropan-1-amine;(2r)-2-hydroxy-2-phenylacetic acid, (1r,2s)-2-(3,4-difluorophenyl)cyclopropanamine r-mandelate
    Molecular Formula
    C17H17F2NO3
    Molecular Weight
    321.32  g/mol
    InChI Key
    GUESUQPLVFMJIT-KLTOLQSASA-N
    FDA UNII
    TH0OSF4LF9
    1 2D Structure

    CAS 376608-71-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine;(2R)-2-hydroxy-2-phenylacetic acid
    2.1.2 InChI
    InChI=1S/C9H9F2N.C8H8O3/c10-7-2-1-5(3-8(7)11)6-4-9(6)12;9-7(8(10)11)6-4-2-1-3-5-6/h1-3,6,9H,4,12H2;1-5,7,9H,(H,10,11)/t6-,9+;7-/m01/s1
    2.1.3 InChI Key
    GUESUQPLVFMJIT-KLTOLQSASA-N
    2.1.4 Canonical SMILES
    C1C(C1N)C2=CC(=C(C=C2)F)F.C1=CC=C(C=C1)C(C(=O)O)O
    2.1.5 Isomeric SMILES
    C1[C@H]([C@@H]1N)C2=CC(=C(C=C2)F)F.C1=CC=C(C=C1)[C@H](C(=O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    TH0OSF4LF9
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 376608-71-8

    2. (1r,2s)-2-(3,4-difluorophenyl)cyclopropanaminium (2r)-hydroxy(phenyl)ethanoate

    3. Th0osf4lf9

    4. (1r,2s)-2-(3,4-difluorophenyl)cyclopropanamine (2r)-hydroxy(phenyl)ethanoate

    5. (1r,2s)-2-(3,4-difluorophenyl)cyclopropan-1-amine;(2r)-2-hydroxy-2-phenylacetic Acid

    6. (1r,2s)-2-(3,4-difluorophenyl)cyclopropanamine R-mandelate

    7. (1r,2s)-2-(3,4-difluorophenyl)cyclopropanamine (r)-2-hydroxy-2-phenylacetic Acid

    8. Trans-(1r,2s)-2-(3,4-difluorophenyl)cyclopropanamine (2r)-2-hydroxy-2-phenylethanoate

    9. (alphar)-alpha-hydroxybenzeneacetic Acid Compd. With (1r,2s)-2-(3,4-difluorophenyl)cyclopropanamine

    10. (1r,2s)-2-(3,4-difluorophenyl)cyclopropan-1-amine; (2r)-2-hydroxy-2-phenylacetic Acid

    11. Ex-7182

    12. Unii-th0osf4lf9

    13. Ambz0379

    14. Ticagrelor Related Compound 107

    15. Dtxsid60433193

    16. Cs-m1881

    17. Mfcd21362980

    18. Akos022186450

    19. Am85747

    20. Ac-27491

    21. As-51549

    22. P12919

    23. Ticagrelor Related Compound A [usp-rs]

    24. (1r,2s)-2-(3,4-difluorophenyl)cyclopropanamine D-mandelic Acid

    25. (1r,2r)-2-(3,4-difluorophenyl) Cyclopropanamine (s)-(carboxylato(phenyl) Methyl)holmium

    26. (1r,2s)-2-(3,4-difluorophenyl)cyclopropan-1-amine (2r)-2-hydroxy-2-phenylacetic Acid

    27. (1r,2s)-2-(3,4-difluorophenyl)cyclopropan-1-amine (2r)-2-hydroxy-2-phenylacetic Acid

    28. (1r,2s)-2-(3,4-difluorophenyl)cyclopropanamine(r)-2-hydroxy-2-phenylacetate

    29. (1r,2s)-2-(3,4-difluorophenyl)cyclopropanamine; (r)-2-hydroxy-2-phenylacetate

    30. (2r)-hydroxy(phenyl)acetic Acid--(1r,2s)-2-(3,4-difluorophenyl)cyclopropan-1-amine (1/1)

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 321.32 g/mol
    Molecular Formula C17H17F2NO3
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count3
    Exact Mass321.11764973 g/mol
    Monoisotopic Mass321.11764973 g/mol
    Topological Polar Surface Area83.6 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity312
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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    Aarti Pharmalab, earlier the pharma division of Aarti Industries, is a leading Indian manufacturer of API...
    Aarti Pharmalab, earlier the pharma division of Aarti Industries, is a leading Indian manufacturer of APIs. It has dedicated facilities to manufacture HPAPIs, corticosteroids, cytotoxic & oncology products. It has 2 R&D centers & 3 cGMP plants successfully audited by the USFDA, EUGMP, EDQM, KFDA & COFEPRIS. It also offers CDMO services for generic APIs & NCEs, intermediates & key building blocks.

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      Kimia Biosciences, established in 1993, is focused on manufacturing bulk drugs for various therapeutic se...
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        Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological development area of Yizhuang, China, manufactures pharmaceutical chemicals, fine chemicals and fundamental chemical materials. It has an efficient research and development team. Beijing Mesochem provides its customers customized development, craft optimization, contract customization and outsourcing services. The company has a well-established industrial base in Weinan, Shanxi Province. The production base features a 20,000 ㎡ plant with a production capacity of over 8,000 MT per year.
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