Cephacetrile
[CAS# 10206-21-0]

Identification

• Classification: API >> Antibiotics >> Cephalosporin
• Name: Cephacetrile
• Synonyms: (6R,7R)-3-(Acetoxymethyl)-7-[(2-Cyanoacetyl)Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-3-(Acetoxymethyl)-7-[(2-Cyano-1-Oxoethyl)Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-3-(Acetoxymethyl)-7-[(2-Cyanoacetyl)Amino]-8-Keto-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₁₃H₁₃N₃O₆S
• Molecular Weight: 339.32
• CAS Registry Number: 10206-21-0
• EINECS: 233-508-8
• SMILES: [C@@H]12N(C(=C(COC(C)=O)CS1)C(O)=O)C(=O)[C@H]2NC(CC#N)=O
• InChI: 1S/C13H13N3O6S/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21)/t9-,12-/m1/s1
• InChIKey: RRYMAQUWDLIUPV-BXKDBHETSA-N