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    Technical details about 87171-18-4, learn more about the structure, uses, toxicity, action, side effects and more

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    87171-18-4

    PharmaCompass
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    2D Structure
    Also known as: D-3-methoxy-4-hydroxyphenylglycol, (-)-4-hydroxy-3-methoxyphenylglycol, D-(-)-3-methoxy-4-hydroxyphenylglycol, 3-methoxy-4-hydroxyphenylglycol, (-)-, Z02b4y02fv, 87171-18-4
    Molecular Formula
    C9H12O4
    Molecular Weight
    184.19  g/mol
    InChI Key
    FBWPWWWZWKPJFL-QMMMGPOBSA-N
    FDA UNII
    Z02B4Y02FV
    Synthesized from endogenous epinephrine and norepinephrine in vivo. It is found in brain, blood, CSF, and urine, where its concentrations are used to measure catecholamine turnover.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1R)-1-(4-hydroxy-3-methoxyphenyl)ethane-1,2-diol
    2.1.2 InChI
    InChI=1S/C9H12O4/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,10-12H,5H2,1H3/t8-/m0/s1
    2.1.3 InChI Key
    FBWPWWWZWKPJFL-QMMMGPOBSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=CC(=C1)C(CO)O)O
    2.1.5 Isomeric SMILES
    COC1=C(C=CC(=C1)[C@H](CO)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    Z02B4Y02FV
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4 Hydroxy 3 Methoxyphenylethylene Glycol

    2. 4 Hydroxy 3 Methoxyphenylethyleneglycol

    3. 4 Hydroxy 3 Methoxyphenylglycol

    4. 4-hydroxy-3-methoxyphenylethylene Glycol

    5. 4-hydroxy-3-methoxyphenylethyleneglycol

    6. 4-hydroxy-3-methoxyphenylglycol

    7. Hydroxymethoxyphenylglycol

    8. Methoxyhydroxyphenylglycol

    9. Methoxyhydroxyphenylglycol, (+)-isomer

    10. Methoxyhydroxyphenylglycol, (+-)-isomer

    11. Methoxyhydroxyphenylglycol, (-)-isomer

    12. Mhpg

    13. Mopeg

    14. Vanylglycol

    2.3.2 Depositor-Supplied Synonyms

    1. D-3-methoxy-4-hydroxyphenylglycol

    2. (-)-4-hydroxy-3-methoxyphenylglycol

    3. D-(-)-3-methoxy-4-hydroxyphenylglycol

    4. 3-methoxy-4-hydroxyphenylglycol, (-)-

    5. Z02b4y02fv

    6. 87171-18-4

    7. (r)-1-(4-hydroxy-3-methoxyphenyl)ethane-1,2-diol

    8. 1,2-ethanediol, 1-(4-hydroxy-3-methoxyphenyl)-, (1r)-

    9. 4-hydroxy-3-methoxyphenylglycol

    10. Unii-z02b4y02fv

    11. Methoxy-hydroxyphenyl Glycol

    12. Zinc56460

    13. (-)-3-methoxy-4-hydroxyphenylglycol

    14. (r)-1-(3-methoxy-4-hydroxyphenyl)-1,2-ethanediol

    15. Q27294817

    16. Droxidopa Metabolite (3-methoxy-4-hydroxyphenylglycol, (-)-)

    2.4 Create Date
    2005-07-07
    3 Chemical and Physical Properties
    Molecular Weight 184.19 g/mol
    Molecular Formula C9H12O4
    XLogP3-0.7
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass184.07355886 g/mol
    Monoisotopic Mass184.07355886 g/mol
    Topological Polar Surface Area69.9 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity151
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1