CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Off-white solid; [HSDB] |
|---|---|
| Color/Form | Crystals from water |
| Odor | Penicillin-type odor |
| Taste | Bitter tasting |
| Boiling Point | 743.2 |
| Melting Point | 194 °C |
| Solubility | 10.7 [ug/mL] (The mean of the results at pH 7.4) |
| LogP | 0.87 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Optical Rotation | Specific optical rotation: +248 deg to +268 deg |
| Caco2 Permeability | -6.1 |
| Dissociation Constants | 2.6 |
| Collision Cross Section | 187.4 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Other Experimental Properties | Off-white crystalline powder. Specific optical rotation (c= 0.1): +246 deg at 20 °C/D. UV max (ethanol): 230, 274 nm (E 10850,1400); (0.1N HCl): 229,272 nm (e 9500, 1080); (0.1 N KOH): 248, 291 (e 220,2000). Insoluble in benzene, carbon tetrachloride, chloroform. Solubility (mg/mL): water 4.0; methanol 7.5; absolute ethanol 3.4. Insoluble in hexane, benzene, ethyl acetate, acetonitrile, carbon tetrachloride, chloroform. /Amoxicillin trihydrate/ |
| Chemical Classes | Other Uses -> Pharmaceuticals |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Health Hazard GHS08 |
| GHS Hazard Statements |
H317:Sensitisation, Skin H334:Sensitisation, respiratory |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P342+P311:IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
| Molecular Weight | 365.4 g/mol |
|---|---|
| XLogP3 | -2 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 365.10454189 g/mol |
| Monoisotopic Mass | 365.10454189 g/mol |
| Topological Polar Surface Area | 158 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 590 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| 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
Amoxicillin is a penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-(4-hydroxyphenyl)acetamido group. It has a role as an antibacterial drug. It is a penicillin and a penicillin allergen. It is a conjugate acid of an amoxicillin(1-).