Cefrotil
[CAS# 52231-20-6]

Identification

• Name: Cefrotil
• Synonyms: (6R,7R)-3-Methyl-8-Oxo-7-[[1-Oxo-2-[4-(1,4,5,6-Tetrahydropyrimidin-2-Yl)Phenyl]Ethyl]Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-8-Keto-3-Methyl-7-[[2-[4-(1,4,5,6-Tetrahydropyrimidin-2-Yl)Phenyl]Acetyl]Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-3-Methyl-8-Oxo-7-[2-[4-(1,4,5,6-Tetrahydropyrimidin-2-Yl)Phenyl]Ethanoylamino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₂₀H₂₂N₄O₄S
• Molecular Weight: 414.48
• CAS Registry Number: 52231-20-6
• SMILES: [C@@H]12N(C(=C(C)CS1)C(O)=O)C(=O)[C@H]2NC(CC4=CC=C(C3=NCCCN3)C=C4)=O
• InChI: 1S/C20H22N4O4S/c1-11-10-29-19-15(18(26)24(19)16(11)20(27)28)23-14(25)9-12-3-5-13(6-4-12)17-21-7-2-8-22-17/h3-6,15,19H,2,7-10H2,1H3,(H,21,22)(H,23,25)(H,27,28)/t15-,19-/m1/s1
• InChIKey: QFTZCQVZVRVDTD-DNVCBOLYSA-N

Properties

• Density: 1.547g/cm³ (Cal.)
• Boiling point: 823.633°C at 760 mmHg (Cal.)
• Flash point: 451.917°C (Cal.)