5-Hydroxymethyl Flucloxacillin
[CAS# 75524-31-1]

Identification

• Name: 5-Hydroxymethyl Flucloxacillin
• Synonyms: (2S,5R,6R)-6-[[3-(2-Chloro-6-Fluoro-Phenyl)-5-(Hydroxymethyl)Isoxazole-4-Carbonyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[[3-(2-Chloro-6-Fluorophenyl)-5-(Hydroxymethyl)-4-Isoxazolyl]-Oxomethyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[3-(2-Chloro-6-Fluoro-Phenyl)-5-Methylol-Isoxazole-4-Carbonyl]Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₁₉H₁₇ClFN₃O₆S
• Molecular Weight: 469.87
• CAS Registry Number: 75524-31-1
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C3=C(ON=C3C4=C(F)C=CC=C4Cl)CO)C(=O)O)(C)C
• InChI: 1S/C19H17ClFN3O6S/c1-19(2)14(18(28)29)24-16(27)13(17(24)31-19)22-15(26)11-9(6-25)30-23-12(11)10-7(20)4-3-5-8(10)21/h3-5,13-14,17,25H,6H2,1-2H3,(H,22,26)(H,28,29)/t13-,14+,17-/m1/s1
• InChIKey: ZUBWLMQDPXVIGD-JKIFEVAISA-N

Properties

• Density: 1.672g/cm³ (Cal.)
• Boiling point: 737.867°C at 760 mmHg (Cal.)
• Flash point: 400.048°C (Cal.)