Ticarcillin

Synopsis, 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

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 Formula	C₁₅H₁₄N₂Na₂O₆S₂
Molecular Weight	428.4 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	428.00886708 g/mol
Monoisotopic Mass	428.00886708 g/mol
Topological Polar Surface Area	183 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	629
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3