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    Technical details about zinc 1-(5-cyano-2-pyridyl)-3-[(1S,2S)-2-(6-fluoro-2-hydroxy-3-propanoyl-phenyl)cyclopropyl]urea diacetate, learn more about the structure, uses, toxicity, action, side effects and more

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    zinc 1-(5-cyano-2-pyridyl)-3-[(1S,2S)-2-(6-fluoro-2-hydroxy-3-propanoyl-phenyl)cyclopropyl]urea diacetate

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    2D Structure
    1. Also known as: 9000-07-1, Zinc;1-(5-cyanopyridin-2-yl)-3-[(1s,2s)-2-(6-fluoro-2-hydroxy-3-propanoylphenyl)cyclopropyl]urea;diacetate, Carrageenan, native, Miv-150/za/cg, Miv-150/zinc acetate carrageenan, Zinc 1-(5-cyano-2-pyridyl)-3-[(1s,2s)-2-(6-fluoro-2-hydroxy-3-propanoyl-phenyl)cyclopropyl]urea diacetate
    Molecular Formula
    C23H23FN4O7Zn
    Molecular Weight
    551.8  g/mol
    InChI Key
    UHVMMEOXYDMDKI-JKYCWFKZSA-L
    A water-soluble extractive mixture of sulfated polysaccharides from RED ALGAE. Chief sources are the Irish moss CHONDRUS CRISPUS (Carrageen), and Gigartina stellata. It is used as a stabilizer, for suspending COCOA in chocolate manufacture, and to clarify BEVERAGES.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    zinc;1-(5-cyanopyridin-2-yl)-3-[(1S,2S)-2-(6-fluoro-2-hydroxy-3-propanoylphenyl)cyclopropyl]urea;diacetate
    2.1.2 InChI
    InChI=1S/C19H17FN4O3.2C2H4O2.Zn/c1-2-15(25)11-4-5-13(20)17(18(11)26)12-7-14(12)23-19(27)24-16-6-3-10(8-21)9-22-16;2*1-2(3)4;/h3-6,9,12,14,26H,2,7H2,1H3,(H2,22,23,24,27);2*1H3,(H,3,4);/q;;;+2/p-2/t12-,14+;;;/m1.../s1
    2.1.3 InChI Key
    UHVMMEOXYDMDKI-JKYCWFKZSA-L
    2.1.4 Canonical SMILES
    CCC(=O)C1=C(C(=C(C=C1)F)C2CC2NC(=O)NC3=NC=C(C=C3)C#N)O.CC(=O)[O-].CC(=O)[O-].[Zn+2]
    2.1.5 Isomeric SMILES
    CCC(=O)C1=C(C(=C(C=C1)F)[C@@H]2C[C@@H]2NC(=O)NC3=NC=C(C=C3)C#N)O.CC(=O)[O-].CC(=O)[O-].[Zn+2]
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Carrageenin

    2. Iota Carrageenan

    3. Iota-carrageenan

    4. Kappa Carrageenan

    5. Kappa-carrageenan

    6. Lambda Carrageenan

    7. Lambda-carrageenan

    2.2.2 Depositor-Supplied Synonyms

    1. 9000-07-1

    2. Zinc;1-(5-cyanopyridin-2-yl)-3-[(1s,2s)-2-(6-fluoro-2-hydroxy-3-propanoylphenyl)cyclopropyl]urea;diacetate

    3. Carrageenan, Native

    4. Miv-150/za/cg

    5. Miv-150/zinc Acetate Carrageenan

    6. Zinc 1-(5-cyano-2-pyridyl)-3-[(1s,2s)-2-(6-fluoro-2-hydroxy-3-propanoyl-phenyl)cyclopropyl]urea Diacetate

    2.2.3 Other Synonyms

    1. Kappa-carrageenan

    2. Carrageenan Api

    2.3 Create Date
    2013-07-09
    3 Chemical and Physical Properties
    Molecular Weight 551.8 g/mol
    Molecular Formula C23H23FN4O7Zn
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count5
    Exact Mass550.084219 g/mol
    Monoisotopic Mass550.084219 g/mol
    Topological Polar Surface Area195 Ų
    Heavy Atom Count36
    Formal Charge0
    Complexity647
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count4
    4 Drug and Medication Information
    4.1 Therapeutic Uses

    Traditional Medicine: ... Used in tuberculosis, coughs, bronchitis, and intestinal problems, usually in the form of a decoction of the seaweed.

    Leung, A.Y., Foster, S. Encyclopedia of Common Natural Ingredients Used in Food, Drugs, and Cosmetics. New York, NY. John Wiley & Sons, Inc. 1996., p. 126

    Carrageenan, both in the degraded (molecular weight greater than or equal to 20,000) and undegraded forms, has been reported to alleviate peptic and duodenal ulcers in humans.

    Leung, A.Y., Foster, S. Encyclopedia of Common Natural Ingredients Used in Food, Drugs, and Cosmetics. New York, NY. John Wiley & Sons, Inc. 1996., p. 125

    5 Pharmacology and Biochemistry
    5.1 Absorption, Distribution and Excretion

    IN GUINEA-PIGS, NATIVE FORM OF CARRAGEENAN WAS NOT ABSORBED; DEGRADED CARRAGEENAN COULD NOT BE DETECTED IN URINE OF ANIMALS @ LEVELS OF ABOUT 0.3 MG/ML AFTER 1.85 G HAD BEEN ADMIN IN DRINKING-WATER OR @ LEVELS OF BETWEEN 0.03-0.3 MG/ML WHEN 4-15 MG/KG BODY WT OF DEGRADED CARRAGEENAN HAD BEEN ADMIN IV.

    IARC. Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Humans. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-PRESENT. (Multivolume work). Available at: https://monographs.iarc.fr/ENG/Classification/index.php, p. V10 186 (1976)

    NATIVE CARRAGEENAN FED TO YOUNG RATS @ LEVELS OF 2-20% IN DIET WAS FOUND TO BE EXCRETED QUANTITATIVELY IN FECES.

    IARC. Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Humans. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-PRESENT. (Multivolume work). Available at: https://monographs.iarc.fr/ENG/Classification/index.php, p. V10 186 (1976)

    NO STORAGE OF CARRAGEENAN WAS FOUND IN RHESUS MONKEYS GIVEN 1% NATIVE CARRAGEENAN IN DRINKING-WATER OVER 7-11 WEEKS, FOLLOWED BY 24-WK RECOVERY PERIOD. IN CONTRAST, DEGRADED CARRAGEENAN, WHICH WAS RETAINED AFTER ABSORPTION IN RETICULOENDOTHELIAL TISSUE, COULD STILL BE FOUND IN KUPFFER CELLS 6 MONTHS AFTER ADMIN.

    IARC. Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Humans. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-PRESENT. (Multivolume work). Available at: https://monographs.iarc.fr/ENG/Classification/index.php, p. V10 186 (1976)

    5.2 Metabolism/Metabolites

    Carrageen has inhibitory effects on pepsin activity in vitro. Its degraded form (no viscosity) and forms with low and high viscosities all exhibit antiproteolytic activities in vitro against papain.

    Leung, A.Y., Foster, S. Encyclopedia of Common Natural Ingredients Used in Food, Drugs, and Cosmetics. New York, NY. John Wiley & Sons, Inc. 1996., p. 125

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