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    Ornithine Phenylacetate

    DEVELOPMENTS

    PharmaCompass
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    2D Structure
    Also known as: L-op, Ocr-002, Ornithine phenylacetate [usan], 952154-79-9, 9d6yz105sn, Op
    Molecular Formula
    C13H20N2O4
    Molecular Weight
    268.31  g/mol
    InChI Key
    LRSYFEZBIMVWRY-VWMHFEHESA-N
    FDA UNII
    9D6YZ105SN
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2,5-diaminopentanoic acid;2-phenylacetic acid
    2.1.2 InChI
    InChI=1S/C8H8O2.C5H12N2O2/c9-8(10)6-7-4-2-1-3-5-7;6-3-1-2-4(7)5(8)9/h1-5H,6H2,(H,9,10);4H,1-3,6-7H2,(H,8,9)/t;4-/m.0/s1
    2.1.3 InChI Key
    LRSYFEZBIMVWRY-VWMHFEHESA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)CC(=O)O.C(CC(C(=O)O)N)CN
    2.1.5 Isomeric SMILES
    C1=CC=C(C=C1)CC(=O)O.C(C[C@@H](C(=O)O)N)CN
    2.2 Other Identifiers
    2.2.1 UNII
    9D6YZ105SN
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. L-op

    2. Ocr-002

    3. Ornithine Phenylacetate [usan]

    4. 952154-79-9

    5. 9d6yz105sn

    6. Op

    7. Ornithine Phenylacetate (usan)

    8. L-ornithine Phenylacetate

    9. Unii-9d6yz105sn

    10. Op [ammonia Detoxifying Agent]

    11. L-ornithine Phenyl Acetate

    12. Schembl1702338

    13. Chembl4297204

    14. Dtxsid90241788

    15. Mnk-6105

    16. At24078

    17. Ornithine Phenylacetate [who-dd]

    18. L-ornithine, Benzeneacetate (1:1)

    19. D09942

    20. Q27272385

    21. (2s)-2,5-diaminopentanoic Acid Phenylacetate (1:1)

    2.4 Create Date
    2009-11-09
    3 Chemical and Physical Properties
    Molecular Weight 268.31 g/mol
    Molecular Formula C13H20N2O4
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count6
    Exact Mass268.14230712 g/mol
    Monoisotopic Mass268.14230712 g/mol
    Topological Polar Surface Area127 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity209
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2