Ampicillin-Dicloxacillin Mixture
[CAS# 51004-51-4]

Identification

• Name: Ampicillin-Dicloxacillin Mixture
• Synonyms: (2S,5R,6R)-6-[[(2R)-2-Amino-2-Phenyl-Acetyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[3-(2,6-Dichlorophenyl)-5-Methyl-Isoxazole-4-Carbonyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[(2R)-2-Amino-1-Oxo-2-Phenylethyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[[3-(2,6-Dichlorophenyl)-5-Methyl-4-Isoxazolyl]-Oxomethyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[(2R)-2-Amino-2-Phenyl-Acetyl]Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[3-(2,6-Dichlorophenyl)-5-Methyl-Isoxazole-4-Carbonyl]Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₃₅H₃₆Cl₂N₆O₉S₂
• Molecular Weight: 819.73
• CAS Registry Number: 51004-51-4
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C3=C(ON=C3C4=C(Cl)C=CC=C4Cl)C)C(=O)O)(C)C.[C@H]56SC([C@@H](N5C(=O)[C@H]6NC(=O)[C@H](N)C7=CC=CC=C7)C(=O)O)(C)C
• InChI: 1S/C19H17Cl2N3O5S.C16H19N3O4S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t13-,14+,17-;9-,10-,11+,14-/m11/s1
• InChIKey: OUCSAWQVCBFKBN-TWZKVBNYSA-N

Properties

• Boiling point: 692.4°C at 760 mmHg (Cal.)
• Flash point: 372.5°C (Cal.)