CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Solubility | 3.63 mg/L |
| LogP | 2.91 |
| Stability/Shelf Life | Stable under recommended storage conditions. /Dicloxacillin sodium salt monohydrate/ |
| Optical Rotation | Crystals; decomposes 222-25 °C. Freely soluble in water; soluble in methanol; less soluble in butanol; slightly soluble in acetone and the usual organic solvents. Specific optical rotation: 127.2 deg at 20 °C/D (water) /Dicloxacillin sodium salt monohydrate/ |
| Decomposition | Hazardous decomposition products formed under fire conditions - Carbon oxides, nitrogen oxides (NOx), sulfur oxides, hydrogen chloride gas, sodium oxides. /Dicloxacillin sodium salt monohydrate/ |
| Dissociation Constants | pKa = 2.8 |
| Collision Cross Section | 197 Ų [M+H]+ [CCS Type: TW, Method: calibrated with Waters Major Mix] |
COMPUTED DESCRIPTORS
| Molecular Weight | 470.3 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 469.0265972 g/mol |
| Monoisotopic Mass | 469.0265972 g/mol |
| Topological Polar Surface Area | 138 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 746 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Dicloxacillin is a penicillin that is 6-aminopenicillanic acid in which one of the amino hydrogens is replaced by a 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]formyl group. It has a role as an antibacterial drug. It is a penicillin and a dichlorobenzene. It is a conjugate acid of a dicloxacillin(1-).