CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Solubility | WHITE, CRYSTALLINE POWDER; SOL IN ALCOHOL; SLIGHTLY SOL IN ACETONE, CHLOROFORM; AQ SOLN IS ALKALINE; DECOMP BETWEEN 170 °C & 173 °C; ODORLESS; BITTER TASTE /MONOHYDRATE/ |
| LogP | 2.48 |
| Stability/Shelf Life | CLOXACILLIN IS RELATIVELY STABLE IN GASTRIC ACID; STABLE IN LIGHT; SLIGHTLY HYGROSCOPIC. /MONOHYDRATE/ |
| Dissociation Constants | 2.78 |
| Collision Cross Section | 193.8 Ų [M+H]+ [CCS Type: TW, Method: calibrated with Waters Major Mix] |
| Other Experimental Properties | Microcryst powder, dec 170 °C, specific optical rotation +163 deg @ 20 °C/D; pH 6.0-7.5. Soluble in water, methanol, ethanol, pyridine, ethylene glycol /Sodium monohydrate/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 435.9 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 435.0655696 g/mol |
| Monoisotopic Mass | 435.0655696 g/mol |
| Topological Polar Surface Area | 138 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 722 |
| 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
Cloxacillin is a semisynthetic penicillin antibiotic carrying a 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido group at position 6. It has a role as an antibacterial agent and an antibacterial drug. It is a semisynthetic derivative, a penicillin allergen and a penicillin. It is functionally related to an oxacillin. It is a conjugate acid of a cloxacillin(1-).