Piperacillin-tazobactam combination
[CAS# 157044-21-8]

Identification

• Name: Piperacillin-tazobactam combination
• Synonyms: Sodium; (2R,5S,6S)-6-[[(2R)-2-[(4-Ethyl-2,3-Dioxo-Piperazine-1-Carbonyl)Amino]-2-Phenyl-Acetyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; (2S,3S,5R)-3-Methyl-4,4,7-Trioxo-3-(Triazol-1-Ylmethyl)-4$L^{6}-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; Sodium; (2R,5S,6S)-6-[[(2R)-2-[[(4-Ethyl-2,3-Dioxo-1-Piperazinyl)-Oxomethyl]Amino]-1-Oxo-2-Phenylethyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; (2S,3S,5R)-3-Methyl-4,4,7-Trioxo-3-(1-Triazolylmethyl)-4$L^{6}-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₃₃H₃₈N₉NaO₁₂S₂
• Molecular Weight: 839.83
• CAS Registry Number: 157044-21-8
• SMILES: [C@H]12[S](=O)(=O)[C@]([C@@H](N1C(=O)C2)C(=O)O)(C[N]3N=NC=C3)C.[C@@H]45SC([C@H](N4C(=O)[C@@H]5NC(=O)[C@H](NC(=O)N6C(=O)C(=O)N(CC6)CC)C7=CC=CC=C7)C([O-])=O)(C)C.[Na+]
• InChI: 1S/C23H27N5O7S.C10H12N4O5S.Na/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28;1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19;/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34);2-3,7-8H,4-5H2,1H3,(H,16,17);/q;;+1/p-1/t13-,14+,15-,20+;7-,8+,10+;/m11./s1
• InChIKey: TUPFOYXHAYOHIB-BBYWQAFTSA-M