CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; [Merck Index] |
|---|---|
| Color/Form | YELLOW CRYSTALLINE POWDER |
| Odor | Odorless |
| Melting Point | 172.5 dec °C |
| Solubility | 231 mg/L (at 25 °C) |
| LogP | -1.3 |
| LogS | -3.12 |
| Stability/Shelf Life | STABLE IN AIR, BUT EXPOSURE TO STRONG SUNLIGHT CAUSES IT TO DARKEN; POTENCY IS AFFECTED BY SOLN OF PH BELOW 2 |
| Optical Rotation | SPECIFIC ROTATION: -254 DEG TO -270 DEG; PH (AQ SUSPENSION, 10 MG/ML) BETWEEN 3 & 7 |
| Decomposition | When heated to decomposition it emits toxic fumes of nitroxides. |
| pH | 3.0-7.0 /saturated solution/ |
| Ionization Efficiency | Positive |
| Dissociation Constants | 7.68 |
| Collision Cross Section | 198.48 Ų [M+H]+ [CCS Type: DT, Method: stepped-field] |
| Other Experimental Properties | Crystals...Becomes anhydr by drying in vacuo at 60 °C for 8 hrs. /Trihydrate/ |
| Chemical Classes | Other Uses -> Pharmaceuticals |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P202:Do not handle until all safety precautions have been read and understood. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P273:Avoid release to the environment. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 444.4 g/mol |
|---|---|
| XLogP3 | -2 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 2 |
| Exact Mass | 444.15326573 g/mol |
| Monoisotopic Mass | 444.15326573 g/mol |
| Topological Polar Surface Area | 182 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 971 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| 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
Tetracycline is a broad-spectrum polyketide antibiotic produced by the Streptomyces genus of actinobacteria. It has a role as an antimicrobial agent, an antibacterial drug, an antiprotozoal drug, a protein synthesis inhibitor and an Escherichia coli metabolite. It is a tertiary alpha-hydroxy ketone and a member of tetracyclines. It is a conjugate acid of a tetracycline(1-) and a tetracycline zwitterion.