2,2-Dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-Methoxyiminoacetyl]Amino]-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate Hydrochloride
[CAS 105629-49-0]

Identification

• Name: 2,2-Dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-Methoxyiminoacetyl]Amino]-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate Hydrochloride
• Synonyms: 2,2-Dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-Aminothiazol-4-Yl)-2-Methoxyimino-Acetyl]Amino]-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate Hydrochloride; (6R,7R)-7-[[(2Z)-2-(2-Amino-4-Thiazolyl)-2-Methoxyimino-1-Oxoethyl]Amino]-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid (2,2-Dimethyl-1-Oxopropoxy)Methyl Ester Hydrochloride; (6R,7R)-7-[[(2Z)-2-(2-Aminothiazol-4-Yl)-2-Methoxyimino-Acetyl]Amino]-8-Keto-3-Methyl-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid Pivaloyloxymethyl Ester Hydrochloride
• Molecular Formula: C₂₀H₂₆ClN₅O₇S₂
• Molecular Weight: 548.03
• CAS Registry Number: 105629-49-0
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C3=CSC(=N3)N)C(OCOC(=O)C(C)(C)C)=O)C.[H+].[Cl-]
• InChI: 1S/C20H25N5O7S2.ClH/c1-9-6-33-16-12(23-14(26)11(24-30-5)10-7-34-19(21)22-10)15(27)25(16)13(9)17(28)31-8-32-18(29)20(2,3)4;/h7,12,16H,6,8H2,1-5H3,(H2,21,22)(H,23,26);1H/b24-11-;/t12-,16-;/m1./s1
• InChIKey: XAAOHMIKXULDKJ-IZXJIOGHSA-N

Properties

• Boiling point: 732.3°C at 760 mmHg (Cal.)
• Flash point: 396.7°C (Cal.)