Piroxicillin
[CAS# 82509-56-6]

Identification

• Name: Piroxicillin
• Synonyms: (2S,5R,6R)-6-[[(2R)-2-(4-Hydroxyphenyl)-1-Oxo-2-[[Oxo-[[4-Oxo-2-[(4-Sulfamoylphenyl)Amino]-3H-Pyrimidin-5-Yl]Amino]Methyl]Amino]Ethyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[(2R)-2-(4-Hydroxyphenyl)-2-[[4-Keto-2-[(4-Sulfamoylphenyl)Amino]-3H-Pyrimidin-5-Yl]Carbamoylamino]Acetyl]Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[(2R)-2-(4-Hydroxyphenyl)-2-[[4-Oxo-2-[(4-Sulfamoylphenyl)Amino]-3H-Pyrimidin-5-Yl]Carbamoylamino]Ethanoyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₂₇H₂₈N₈O₉S₂
• Molecular Weight: 672.69
• CAS Registry Number: 82509-56-6
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)NC3=CN=C(NC3=O)NC4=CC=C([S](=O)(=O)N)C=C4)C5=CC=C(O)C=C5)C(O)=O)(C)C
• InChI: 1S/C27H28N8O9S2/c1-27(2)19(24(40)41)35-22(39)18(23(35)45-27)32-21(38)17(12-3-7-14(36)8-4-12)33-26(42)31-16-11-29-25(34-20(16)37)30-13-5-9-15(10-6-13)46(28,43)44/h3-11,17-19,23,36H,1-2H3,(H,32,38)(H,40,41)(H2,28,43,44)(H2,31,33,42)(H2,29,30,34,37)/t17-,18-,19+,23-/m1/s1
• InChIKey: YCDUQXXFNZLWJU-CROMWVBPSA-N

Properties

• Density: 1.776g/cm³ (Cal.)