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    Ecabet Sodium

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 50Xls

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    2D Structure
    Also known as: 86408-72-2, Ecabet sodium salt, Ta-2711, Sulfodehydroabietic acid monosodium salt, 51mo2b2osb, Ta-2711e
    Molecular Formula
    C20H27NaO5S
    Molecular Weight
    402.5  g/mol
    InChI Key
    RCVIHORGZULVTN-YGJXXQMASA-M
    FDA UNII
    51MO2B2OSB
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;(4bS,8R,8aR)-8-carboxy-4b,8-dimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3-sulfonate
    2.1.2 InChI
    InChI=1S/C20H28O5S.Na/c1-12(2)14-10-13-6-7-17-19(3,8-5-9-20(17,4)18(21)22)15(13)11-16(14)26(23,24)25;/h10-12,17H,5-9H2,1-4H3,(H,21,22)(H,23,24,25);/q;+1/p-1/t17-,19-,20-;/m1./s1
    2.1.3 InChI Key
    RCVIHORGZULVTN-YGJXXQMASA-M
    2.1.4 Canonical SMILES
    CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)S(=O)(=O)[O-].[Na+]
    2.1.5 Isomeric SMILES
    CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)O)C)S(=O)(=O)[O-].[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    51MO2B2OSB
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-6-sulfo-1-phenanthrenecarboxylic Acid 6-sodium Salt

    2. 12-sulfodehydroabietic Acid

    3. Ecabet

    4. Ta 2711

    5. Ta-2711

    6. Ta-2711e

    2.3.2 Depositor-Supplied Synonyms

    1. 86408-72-2

    2. Ecabet Sodium Salt

    3. Ta-2711

    4. Sulfodehydroabietic Acid Monosodium Salt

    5. 51mo2b2osb

    6. Ta-2711e

    7. Gastrom

    8. Ecabet Sodium [jan]

    9. Unii-51mo2b2osb

    10. Ecabet (sodium Salt)

    11. Ecabet Monosodium

    12. 12-sulfodehydroabietic Acid Monosodium Salt

    13. Mls006010228

    14. Ecabet Sodium [mart.]

    15. Schembl1650174

    16. Ecabet Sodium Salt [mi]

    17. Ecabet Monosodium [who-dd]

    18. Amy18112

    19. Bcp11708

    20. Mfcd00866896

    21. Akos022171692

    22. Ccg-268671

    23. Smr004701309

    24. E1224

    25. Q27260913

    26. 1-phenanthrenecarboxylic Acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-6-sulfo-, (1r-(1-alpha,4a-beta,10a-alpha))-, Monosodium Salt

    27. 1-phenanthrenecarboxylic Acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-6-sulfo-, Monosodium Salt, (1r,4as,10ar)-

    28. Sodium (4bs,8r,8ar)-8-carboxy-2-isopropyl-4b,8-dimethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-3-sulfonate

    29. Sodium (4bs,8r,8ar)-8-carboxy-4b,8-dimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3-sulfonate

    2.4 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 402.5 g/mol
    Molecular Formula C20H27NaO5S
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass402.14768941 g/mol
    Monoisotopic Mass402.14768941 g/mol
    Topological Polar Surface Area103 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity672
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anti-Infective Agents

    Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection. (See all compounds classified as Anti-Infective Agents.)

    Anti-Ulcer Agents

    Various agents with different action mechanisms used to treat or ameliorate PEPTIC ULCER or irritation of the gastrointestinal tract. This has included ANTIBIOTICS to treat HELICOBACTER INFECTIONS; HISTAMINE H2 ANTAGONISTS to reduce GASTRIC ACID secretion; and ANTACIDS for symptomatic relief. (See all compounds classified as Anti-Ulcer Agents.)

    Anticarcinogenic Agents

    Agents that reduce the frequency or rate of spontaneous or induced tumors independently of the mechanism involved. (See all compounds classified as Anticarcinogenic Agents.)

    Protease Inhibitors

    Compounds which inhibit or antagonize biosynthesis or actions of proteases (ENDOPEPTIDASES). (See all compounds classified as Protease Inhibitors.)