Fumoxicillin
[CAS# 78186-33-1]

Identification

• Name: Fumoxicillin
• Synonyms: (2S,5R,6R)-6-[[(2S)-2-(2-Furylmethyleneamino)-2-(4-Hydroxyphenyl)Acetyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[(2S)-2-(2-Furylmethyleneamino)-2-(4-Hydroxyphenyl)-1-Oxoethyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[(2S)-2-(2-Furylmethyleneamino)-2-(4-Hydroxyphenyl)Acetyl]Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₂₁H₂₁N₃O₆S
• Molecular Weight: 443.47
• CAS Registry Number: 78186-33-1
• EINECS: 278-865-0
• SMILES: [C@H]1(C(N2[C@@H]1SC([C@@H]2C(O)=O)(C)C)=O)NC([C@@H](N=CC3=CC=CO3)C4=CC=C(C=C4)O)=O
• InChI: 1S/C21H21N3O6S/c1-21(2)16(20(28)29)24-18(27)15(19(24)31-21)23-17(26)14(11-5-7-12(25)8-6-11)22-10-13-4-3-9-30-13/h3-10,14-16,19,25H,1-2H3,(H,23,26)(H,28,29)/t14-,15+,16-,19+/m0/s1
• InChIKey: BWENFVHXWNVVGN-CYJAXWMASA-N

Properties

• Density: 1.542g/cm³ (Cal.)
• Boiling point: 762.305°C at 760 mmHg (Cal.)
• Flash point: 414.828°C (Cal.)