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    Chemistry

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    Also known as: Ticarcillin sodium, Ticarpen, Monapen, Ticar, Ticarcillin disodium salt, 29457-07-6
    Molecular Formula
    C15H14N2Na2O6S2
    Molecular Weight
    428.4  g/mol
    InChI Key
    ZBBCUBMBMZNEME-QBGWIPKPSA-L
    FDA UNII
    G8TVV6DSYG
    Ticarcillin
    An antibiotic derived from penicillin similar to CARBENICILLIN in action.
    1 2D Structure

    Ticarcillin

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    disodium;(2S,5R,6R)-6-[[(2R)-2-carboxylato-2-thiophen-3-ylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
    2.1.2 InChI
    InChI=1S/C15H16N2O6S2.2Na/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6;;/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23);;/q;2*+1/p-2/t7-,8-,9+,12-;;/m1../s1
    2.1.3 InChI Key
    ZBBCUBMBMZNEME-QBGWIPKPSA-L
    2.1.4 Canonical SMILES
    CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CSC=C3)C(=O)[O-])C(=O)[O-])C.[Na+].[Na+]
    2.1.5 Isomeric SMILES
    CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CSC=C3)C(=O)[O-])C(=O)[O-])C.[Na+].[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    G8TVV6DSYG
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Brl 2288

    2. Brl-2288

    3. Brl2288

    4. Disodium, Ticarcillin

    5. Tarcil

    6. Ticar

    7. Ticarcillin

    8. Ticarpen

    9. Ticillin

    2.3.2 Depositor-Supplied Synonyms

    1. Ticarcillin Sodium

    2. Ticarpen

    3. Monapen

    4. Ticar

    5. Ticarcillin Disodium Salt

    6. 29457-07-6

    7. 4697-14-7

    8. Disodium Ticarcillin

    9. Aerugipen

    10. Ticillin

    11. 74682-62-5

    12. Brl 2288

    13. Ticarcillinsodium

    14. G8tvv6dsyg

    15. Chebi:35017

    16. Nsc-759166

    17. Ncgc00017046-01

    18. Ticarcillin Monosodium Monohydrate

    19. Cas-4697-14-7

    20. Brl-2288

    21. Ticarcillin Sodium (jan)

    22. Disodium;(2s,5r,6r)-6-[[(2r)-2-carboxylato-2-thiophen-3-ylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

    23. N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-3-thiophenemalonamic Acid Disodium Salt

    24. Ticarcillin Disodium Salt (contain 10% Methanol)

    25. Ticarcillin Sodium [jan]

    26. Unii-g8tvv6dsyg

    27. Ticarcillin Disodium [usan]

    28. Disodium (2s,5r,6r)-3,3-dimethyl-6-[[(2r)-3-oxidanidyl-3-oxidanylidene-2-thiophen-3-yl-propanoyl]amino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

    29. Disodium (2s,5r,6r)-6-[[(2r)-2-carboxylato-1-oxo-2-(3-thiophenyl)ethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

    30. Einecs 249-642-5

    31. Ticar (tn)

    32. Ticarcillin Disodium (usp)

    33. Dsstox_cid_25561

    34. Dsstox_rid_80958

    35. Dsstox_gsid_45561

    36. Schembl41224

    37. Chembl1200855

    38. Dtxsid60951968

    39. Hms1571e16

    40. Ticarcillin Disodium Salt, >=95%

    41. Ticarcillin Sodium [mart.]

    42. Tox21_110756

    43. Mfcd07787410

    44. Ticarcillin Disodium [who-dd]

    45. Akos027276160

    46. Ticarcillin Disodium Salt [mi]

    47. Ticarcillin Sodium [ep Impurity]

    48. Ticarcillin Disodium [green Book]

    49. Ticarcillin Sodium [ep Monograph]

    50. Ticarcillin Disodium [orange Book]

    51. Ticarcillin Disodium [usp Monograph]

    52. Timentin Component Ticarcillin Disodium

    53. D02241

    54. F18001

    55. Ticarcillin Disodium Component Of Timentin

    56. A822398

    57. A827122

    58. Q27116369

    59. (2s,5r,6r)-6-[[(2r)-3-hydroxy-3-oxo-2-(3-thienyl)propanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid

    60. 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic Acid, 6-((carboxy-3-thienylacetyl)amino)-3,3-dimethyl-7-oxo-, Disodium Salt, (2s-(2.alpha.,5.alpha.,6.beta.(s*)))-

    61. Disodium (2s,5r,6r)-6-[(2r)-2-carboxylato-2- (thiophen-3-yl)acetamido]-3,3-dimethyl-7-oxo-4- Thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

    62. Disodium (2s,5r,6r)-6-{[(2r)-2-carboxylato-2-thiophen-3-ylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

    63. Disodium (2s-(2alpha,5alpha,6beta(s*)))-6-(carboxylato-3-thienylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate

    64. Disodium 6beta-{[(2r)-2-carboxylato-2-thiophen-3-ylacetyl]amino}-2,2-dimethylpenam-3alpha-carboxylate

    65. Sodium (2s,5r,6r)-6-((r)-2-carboxylato-2-(thiophen-3-yl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

    2.4 Create Date
    2005-08-01
    3 Chemical and Physical Properties
    Molecular Weight 428.4 g/mol
    Molecular Formula C15H14N2Na2O6S2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count3
    Exact Mass428.00886708 g/mol
    Monoisotopic Mass428.00886708 g/mol
    Topological Polar Surface Area183 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity629
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anti-Bacterial Agents

    Substances that inhibit the growth or reproduction of BACTERIA. (See all compounds classified as Anti-Bacterial Agents.)

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    05-Jan-2024
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