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    Thiamylal

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    MARKET PLACE

    REF. STANDARDS & IMPURITIES

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    2D Structure
    Also known as: Sodium thiamylal, Thiamylal sodium salt, 337-47-3, Surital sodium salt, Ncgc00095772-01, 5-allyl-5-(1-methylbutyl)-2-thiobarbituric acid, sodium salt
    Molecular Formula
    C12H17N2NaO2S
    Molecular Weight
    276.33  g/mol
    InChI Key
    LYZGJWXNOGIVQA-UHFFFAOYSA-M
    A barbiturate that is administered intravenously for the production of complete anesthesia of short duration, for the induction of general anesthesia, or for inducing a hypnotic state. (From Martindale, The Extra Pharmacopoeia, 30th ed, p919)
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;4,6-dioxo-5-pentan-2-yl-5-prop-2-enyl-1H-pyrimidine-2-thiolate
    2.1.2 InChI
    InChI=1S/C12H18N2O2S.Na/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16;/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17);/q;+1/p-1
    2.1.3 InChI Key
    LYZGJWXNOGIVQA-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    CCCC(C)C1(C(=O)NC(=NC1=O)[S-])CC=C.[Na+]
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Sodium, Thiamylal

    2. Surital

    3. Thiamylal

    4. Thioquinalbarbitone

    2.2.2 Depositor-Supplied Synonyms

    1. Sodium Thiamylal

    2. Thiamylal Sodium Salt

    3. 337-47-3

    4. Surital Sodium Salt

    5. Ncgc00095772-01

    6. 5-allyl-5-(1-methylbutyl)-2-thiobarbituric Acid, Sodium Salt

    7. Surital Sodium

    8. Thiomylal Sodium

    9. Sodium 5-allyl-5-(1-methylbutyl)-2-thiobarbiturate

    10. Thioseconal Sodium

    11. T4l2p3kh7k

    12. 5-allyl-5-(1-methylbutyl)-2-thiobarbituric Acid, Sodium Derivative

    13. Surital Sodium Deriv.

    14. Nsc-759558

    15. 4,6-(1h,5h)-pyrimidinedione, Dihydro-5-(1-methylbutyl)-5-(2-propenyl)-2-thioxo-, Monosodium Salt

    16. Einecs 206-415-5

    17. Unii-t4l2p3kh7k

    18. Thiamylal Sodium [usp:jan]

    19. Surital (tn)

    20. 5-allyl-5-(1-methylbutyl)-2-thiobarbiturate Sodium

    21. 5-allyl-5-(1-methylbutyl)-2-thio-barbituric Acid Sodium Salt

    22. Thiamylal Sodium (jp17)

    23. Dsstox_cid_25988

    24. Dsstox_rid_81275

    25. Dsstox_gsid_45988

    26. Schembl34746

    27. Spectrum1900002

    28. Chebi:9537

    29. Chembl1201065

    30. Dtxsid3045988

    31. Hms503e21

    32. Hms2094g05

    33. Tox21_111517

    34. Barbituric Acid, 5-allyl-5-(1-methylbutyl)-2-thio-, Sodium Salt

    35. Ccg-213640

    36. Nsc 759558

    37. Ncgc00095772-02

    38. 4,6(1h,5h)-pyrimidinedione, Dihydro-5-(1-methylbutyl)-5-(2-propenyl)-2-thioxo-, Monosodium Salt

    39. Cas-337-47-3

    40. D00713

    41. Q27289664

    2.3 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 276.33 g/mol
    Molecular Formula C12H17N2NaO2S
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count5
    Exact Mass276.09084324 g/mol
    Monoisotopic Mass276.09084324 g/mol
    Topological Polar Surface Area59.5 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity384
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anesthetics, Intravenous

    Ultrashort-acting anesthetics that are used for induction. Loss of consciousness is rapid and induction is pleasant, but there is no muscle relaxation and reflexes frequently are not reduced adequately. Repeated administration results in accumulation and prolongs the recovery time. Since these agents have little if any analgesic activity, they are seldom used alone except in brief minor procedures. (From AMA Drug Evaluations Annual, 1994, p174) (See all compounds classified as Anesthetics, Intravenous.)

    GABA Modulators

    Substances that do not act as agonists or antagonists but do affect the GAMMA-AMINOBUTYRIC ACID receptor-ionophore complex. GABA-A receptors (RECEPTORS, GABA-A) appear to have at least three allosteric sites at which modulators act: a site at which BENZODIAZEPINES act by increasing the opening frequency of GAMMA-AMINOBUTYRIC ACID-activated chloride channels; a site at which BARBITURATES act to prolong the duration of channel opening; and a site at which some steroids may act. GENERAL ANESTHETICS probably act at least partly by potentiating GABAergic responses, but they are not included here. (See all compounds classified as GABA Modulators.)

    Hypnotics and Sedatives

    Drugs used to induce drowsiness or sleep or to reduce psychological excitement or anxiety. (See all compounds classified as Hypnotics and Sedatives.)