[6R-[6alpha,7beta(Z)]]-3-(Acetoxymethyl)-7-[[2-(Chloroacetamido)Thiazol-4-Yl](Methoxyimino)Acetamido]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
[CAS# 64486-19-7]

Identification

• Name: [6R-[6alpha,7beta(Z)]]-3-(Acetoxymethyl)-7-[[2-(Chloroacetamido)Thiazol-4-Yl](Methoxyimino)Acetamido]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Synonyms: (6R,7R)-3-(Acetoxymethyl)-7-[[(2E)-2-[2-[(2-Chloroacetyl)Amino]Thiazol-4-Yl]-2-Methoxyimino-Acetyl]Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-3-(Acetoxymethyl)-7-[[(2E)-2-[2-[(2-Chloro-1-Oxoethyl)Amino]-4-Thiazolyl]-2-Methoxyimino-1-Oxoethyl]Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-3-(Acetoxymethyl)-7-[[(2E)-2-[2-[(2-Chloroacetyl)Amino]Thiazol-4-Yl]-2-Methoxyimino-Acetyl]Amino]-8-Keto-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₁₈H₁₈ClN₅O₈S₂
• Molecular Weight: 531.94
• CAS Registry Number: 64486-19-7
• EINECS: 264-918-5
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)/C3=CSC(=N3)NC(=O)CCl)C(=O)O)COC(=O)C
• InChI: 1S/C18H18ClN5O8S2/c1-7(25)32-4-8-5-33-16-12(15(28)24(16)13(8)17(29)30)22-14(27)11(23-31-2)9-6-34-18(20-9)21-10(26)3-19/h6,12,16H,3-5H2,1-2H3,(H,22,27)(H,29,30)(H,20,21,26)/b23-11+/t12-,16-/m1/s1
• InChIKey: RNFUKHYALDYPSA-HURQQZHVSA-N

Properties

• Density: 1.777g/cm³ (Cal.)