Cefazolin delta-3-Methyl Ester
[CAS# 117929-10-9]

Identification

• Name: Cefazolin delta-3-Methyl Ester
• Synonyms: (6R,7R)-3-[[(5-Methyl-1,3,4-Thiadiazol-2-Yl)Thio]Methyl]-8-Oxo-7-[[1-Oxo-2-(1-Tetrazolyl)Ethyl]Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-3-Ene-2-Carboxylic Acid Methyl Ester; (6R,7R)-8-Keto-3-[[(5-Methyl-1,3,4-Thiadiazol-2-Yl)Thio]Methyl]-7-[[2-(Tetrazol-1-Yl)Acetyl]Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-3-Ene-2-Carboxylic Acid Methyl Ester; Methyl (6R,7R)-3-[(5-Methyl-1,3,4-Thiadiazol-2-Yl)Sulfanylmethyl]-8-Oxo-7-[2-(1,2,3,4-Tetrazol-1-Yl)Ethanoylamino]-5-Thia-1-Azabicyclo[4.2.0]Oct-3-Ene-2-Carboxylate
• Molecular Formula: C₁₅H₁₆N₈O₄S₃
• Molecular Weight: 468.52
• CAS Registry Number: 117929-10-9
• SMILES: [C@H]12SC=C(C(N1C(=O)[C@H]2NC(=O)C[N]3N=NN=C3)C(OC)=O)CSC4=NN=C(S4)C
• InChI: 1S/C15H16N8O4S3/c1-7-18-19-15(30-7)29-5-8-4-28-13-10(12(25)23(13)11(8)14(26)27-2)17-9(24)3-22-6-16-20-21-22/h4,6,10-11,13H,3,5H2,1-2H3,(H,17,24)/t10-,11?,13-/m1/s1
• InChIKey: VWSAVDPCHLJLPI-IAUSTGCCSA-N

Properties

• Density: 1.875g/cm³ (Cal.)