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    Chemistry

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    Also known as: Psyllic acid, 38232-03-0, Ceromelissic acid, 8063-16-9, 5lsy5b2356, C33:0
    Molecular Formula
    C33H66O2
    Molecular Weight
    494.9  g/mol
    InChI Key
    HQRWEDFDJHDPJC-UHFFFAOYSA-N
    FDA UNII
    5LSY5B2356
    Tritriacontanoic Acid
    Dried, ripe seeds of PLANTAGO PSYLLIUM; PLANTAGO INDICA; and PLANTAGO OVATA. Plantain seeds swell in water and are used as demulcents and bulk laxatives.
    1 2D Structure

    Tritriacontanoic Acid

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tritriacontanoic acid
    2.1.2 InChI
    InChI=1S/C33H66O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33(34)35/h2-32H2,1H3,(H,34,35)
    2.1.3 InChI Key
    HQRWEDFDJHDPJC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    5LSY5B2356
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Gum, Ispaghule

    2. Isogel

    3. Ispaghula

    4. Ispaghule Gum

    5. Metamucil

    6. Plantaginis, Semen

    7. Plantaglucide

    8. Plantago Seed

    9. Psyllium

    10. Reguval

    11. Seed, Plantago

    12. Semen Plantaginis

    2.3.2 Depositor-Supplied Synonyms

    1. Psyllic Acid

    2. 38232-03-0

    3. Ceromelissic Acid

    4. 8063-16-9

    5. 5lsy5b2356

    6. C33:0

    7. Psyllium Seed Gum

    8. Tritriacontanoicacid

    9. Pysslostearic Acid

    10. Unii-5lsy5b2356

    11. Schembl7647614

    12. Dtxsid90959174

    13. Chebi:165446

    14. Lmfa01010033

    15. Zinc59065086

    16. Fa 33:0

    17. Yp58645

    18. Fa(33:0)

    19. Q2823315

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 494.9 g/mol
    Molecular Formula C33H66O2
    XLogP315.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count31
    Exact Mass494.50628134 g/mol
    Monoisotopic Mass494.50628134 g/mol
    Topological Polar Surface Area37.3 Ų
    Heavy Atom Count35
    Formal Charge0
    Complexity393
    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 MeSH Pharmacological Classification

    Cathartics

    Agents that are used to stimulate evacuation of the bowels. (See all compounds classified as Cathartics.)

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