Cefetrizole
[CAS# 65307-12-2]

Identification

• Name: Cefetrizole
• Synonyms: (6R,7R)-8-Oxo-7-[[2-(2-Thienyl)Acetyl]Amino]-3-(2H-1,2,4-Triazol-3-Ylsulfanylmethyl)-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-8-Oxo-7-[[1-Oxo-2-(2-Thienyl)Ethyl]Amino]-3-[(2H-1,2,4-Triazol-3-Ylthio)Methyl]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-8-Keto-7-[[2-(2-Thienyl)Acetyl]Amino]-3-[(2H-1,2,4-Triazol-3-Ylthio)Methyl]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₁₆H₁₅N₅O₄S₃
• Molecular Weight: 437.51
• CAS Registry Number: 65307-12-2
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)CC3=CC=CS3)C(O)=O)CSC4=NC=N[NH]4
• InChI: 1S/C16H15N5O4S3/c22-10(4-9-2-1-3-26-9)19-11-13(23)21-12(15(24)25)8(5-27-14(11)21)6-28-16-17-7-18-20-16/h1-3,7,11,14H,4-6H2,(H,19,22)(H,24,25)(H,17,18,20)/t11-,14-/m1/s1
• InChIKey: UQWYUAURRDNBKR-BXUZGUMPSA-N

Properties

• Density: 1.711g/cm³ (Cal.)