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    Metacaine

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: Tricaine methane sulfonate, (3-ethoxycarbonylphenyl)azanium;methanesulfonate, Ethyl m-aminobenzoate methane sulfonate, Benzoic acid, 3-amino-, ethyl ester, methanesulfonate, 971zm8ipk1, Methanesulfonic acid, compd. with ethyl m-aminobenzoate (1:1)
    Molecular Formula
    C10H15NO5S
    Molecular Weight
    261.30  g/mol
    InChI Key
    FQZJYWMRQDKBQN-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3-ethoxycarbonylphenyl)azanium;methanesulfonate
    2.1.2 InChI
    InChI=1S/C9H11NO2.CH4O3S/c1-2-12-9(11)7-4-3-5-8(10)6-7;1-5(2,3)4/h3-6H,2,10H2,1H3;1H3,(H,2,3,4)
    2.1.3 InChI Key
    FQZJYWMRQDKBQN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C1=CC(=CC=C1)[NH3+].CS(=O)(=O)[O-]
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Ethyl M-aminobenzoate Methanesulfonate

    2. Ms-222

    3. Ms222 Compound

    4. Tricaine

    5. Tricaine Hydrochloride

    6. Tricaine Methane Sulfonate (ch3so4)

    2.2.2 Depositor-Supplied Synonyms

    1. Tricaine Methane Sulfonate

    2. (3-ethoxycarbonylphenyl)azanium;methanesulfonate

    3. Ethyl M-aminobenzoate Methane Sulfonate

    4. Benzoic Acid, 3-amino-, Ethyl Ester, Methanesulfonate

    5. 971zm8ipk1

    6. Methanesulfonic Acid, Compd. With Ethyl M-aminobenzoate (1:1)

    7. Ms 222

    8. Ts 222

    9. 3-ethoxycarbonylanilinium Methanesulphonate

    10. Einecs 212-956-8

    11. Finquel (tn)

    12. Benzoic Acid, 3-amino-, Ethyl Ester, Methanesulfonate (1:1)

    13. Nsc 93790

    14. Unii-971zm8ipk1

    15. Schembl285618

    16. Benzoic Acid, M-amino-, Ethyl Ester, Methanesulfonate

    17. Ms 222 [veterinary] (tn)

    18. M-ethoxycarbonylanilinium Methanesulphonate

    19. D08632

    20. M-aminobenzoic Acid, Ethyl Ester, Methanesulfonate

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 261.30 g/mol
    Molecular Formula C10H15NO5S
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass261.06709375 g/mol
    Monoisotopic Mass261.06709375 g/mol
    Topological Polar Surface Area120 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity238
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    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

    Anesthetics

    Agents capable of inducing a total or partial loss of sensation, especially tactile sensation and pain. They may act to induce general ANESTHESIA, in which an unconscious state is achieved, or may act locally to induce numbness or lack of sensation at a targeted site. (See all compounds classified as Anesthetics.)