4-[[[[(6R,7R)-2-Carboxy-7-[[(3-chlorophenyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]thio]thioxomethyl]-1,1-dimethyl-Piperazinium inner salt
[CAS# 22561-27-9]

Identification

• Name: 4-[[[[(6R,7R)-2-Carboxy-7-[[(3-chlorophenyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]thio]thioxomethyl]-1,1-dimethyl-Piperazinium inner salt
• Synonyms: (6R,7R)-7-[[2-(3-Chlorophenyl)-1-Oxoethyl]Amino]-3-[[[(4,4-Dimethyl-1-Piperazin-4-Iumyl)-Thioxomethyl]Thio]Methyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate; (6R,7R)-7-[[2-(3-Chlorophenyl)Acetyl]Amino]-3-[[(4,4-Dimethylpiperazin-4-Ium-1-Carbothioyl)Thio]Methyl]-8-Keto-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate; (6R,7R)-7-[2-(3-Chlorophenyl)Ethanoylamino]-3-[(4,4-Dimethylpiperazin-4-Ium-1-Yl)Carbothioylsulfanylmethyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Molecular Formula: C₂₃H₂₇ClN₄O₄S₃
• Molecular Weight: 555.12
• CAS Registry Number: 22561-27-9
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)CC3=CC=CC(=C3)Cl)C([O-])=O)CSC(=S)N4CC[N+](CC4)(C)C
• InChI: 1S/C23H27ClN4O4S3/c1-28(2)8-6-26(7-9-28)23(33)35-13-15-12-34-21-18(20(30)27(21)19(15)22(31)32)25-17(29)11-14-4-3-5-16(24)10-14/h3-5,10,18,21H,6-9,11-13H2,1-2H3,(H-,25,29,31,32)/t18-,21-/m1/s1
• InChIKey: ZWTPTPWLMRXLJE-WIYYLYMNSA-N