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    Chemistry

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    Also known as: Policresulen, 101418-00-2, Dihydroxydimethyldiphenylmethanedisulphonic acid polymer, Formaldehyde,2-(hydroxymethyl)benzenesulfonic acid, Schembl1070408, Dtxsid70143913
    Molecular Formula
    C23H24O12S3
    Molecular Weight
    588.6  g/mol
    InChI Key
    ACZKMKGNTMOPBD-UHFFFAOYSA-N
    Policresulen
    1 2D Structure

    Policresulen

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-hydroxy-3,5-bis[(4-hydroxy-2-methyl-5-sulfophenyl)methyl]-4-methylbenzenesulfonic acid
    2.1.2 InChI
    InChI=1S/C23H24O12S3/c1-11-4-18(24)20(36(27,28)29)8-14(11)6-16-10-22(38(33,34)35)23(26)17(13(16)3)7-15-9-21(37(30,31)32)19(25)5-12(15)2/h4-5,8-10,24-26H,6-7H2,1-3H3,(H,27,28,29)(H,30,31,32)(H,33,34,35)
    2.1.3 InChI Key
    ACZKMKGNTMOPBD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=C(C=C1CC2=CC(=C(C(=C2C)CC3=CC(=C(C=C3C)O)S(=O)(=O)O)O)S(=O)(=O)O)S(=O)(=O)O)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Albocresil

    2. Albothyl

    3. Formaldehyde - Meta-cresolsulfonic Acid

    4. Formaldehyde, Meta-cresolsulfonic Acid Drug Combination

    5. Lotagen

    6. Negatan

    7. Negatol

    8. Novugen

    9. Policresulen

    10. Vagothyl

    2.2.2 Depositor-Supplied Synonyms

    1. Policresulen

    2. 101418-00-2

    3. Dihydroxydimethyldiphenylmethanedisulphonic Acid Polymer

    4. Formaldehyde,2-(hydroxymethyl)benzenesulfonic Acid

    5. Schembl1070408

    6. Dtxsid70143913

    7. Act04770

    8. Bcp22334

    9. Zinc4217339

    10. Akos015897324

    11. Bcp0726000010

    12. Ft-0631012

    13. 418p002

    14. Q906883

    15. Q-100023

    16. 5,5'-(4-hydroxy-2-methyl-5-sulfo-1,3-phenylene)bis(methylene)bis(2-hydroxy-4-methylbenzenesulfonic Acid)

    17. Dihydroxydimethyldiphenylmethanedisulphonic Acid Polymer, Antibiotic For Culture Media Use Only

    2.3 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 588.6 g/mol
    Molecular Formula C23H24O12S3
    XLogP33.7
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count7
    Exact Mass588.04298972 g/mol
    Monoisotopic Mass588.04298972 g/mol
    Topological Polar Surface Area249 Ų
    Heavy Atom Count38
    Formal Charge0
    Complexity1140
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 ATC Code

    D - Dermatologicals

    D08 - Antiseptics and disinfectants

    D08A - Antiseptics and disinfectants

    D08AE - Phenol and derivatives

    D08AE02 - Policresulen

    G - Genito urinary system and sex hormones

    G01 - Gynecological antiinfectives and antiseptics

    G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids

    G01AX - Other antiinfectives and antiseptics

    G01AX03 - Policresulen

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