Ticarcillin-Clavulanic Acid
[CAS# 86482-18-0]

Identification

• Name: Ticarcillin-Clavulanic Acid
• Synonyms: 4-Oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-(2-hydroxyethylidene)-7-oxo-, (2R-(2-α,3Z,5-α))-, &; (2S-(2-α,5-α,6-β(S*)))-6-((carboxy-3-thienylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid; 4-Oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-(2-hydroxyethylidene)-7-oxo-, (2R-(2-α,3Z,5-α))-, mixt. with (2S-(2-α,5-α,6-β(S*)))-6-((carboxy-3-thienylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid; 4-Oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-(2-hydroxyethylidene)-7-oxo-, (2R,3Z,5R)-, mixt. with (2S,5R,6R)-6-(((2R)-carboxy-3-thienylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
• Molecular Formula: C₂₃H₂₅N₃O₁₁S₂
• Molecular Weight: 583.59
• CAS Registry Number: 86482-18-0
• SMILES: O=C(O)[C@@H]2N3C(=O)[C@@H](NC(=O)[C@@H](c1ccsc1)C(=O)O)[C@H]3SC2(C)C.O=C(O)[C@H]2C(/O[C@H]1N2C(=O)C1)=C/CO
• InChI: 1S/C15H16N2O6S2.C8H9NO5/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;10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23);1,6-7,10H,2-3H2,(H,12,13)/b;4-1-/t7-,8-,9+,12-;6-,7-/m11/s1
• InChIKey: XWMVMWTVLSLJGY-FAJPTIRJSA-N

Properties

• Boiling point: 768.3°C at 760 mmHg (Cal.)
• Flash point: 418.4°C (Cal.)