CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | YELLOW CRYSTALLINE POWDER |
|---|---|
| Odor | ODORLESS |
| Taste | BITTER |
| Melting Point | 220-223 °C |
| Solubility | 1520 mg/L (at 21 °C) |
| LogP | 0.2 |
| LogS | -2.52 |
| Stability/Shelf Life | Raw milk samples collected from bulk milk tankers may be screened for the presence of tetracycline antibiotics using rapid screening tests. If tetracycline residues are detected, the milk may be shipped to a laboratory for high-pressure liquid chromatography (HPLC) analysis. Because the milk may be shipped on ice blocks, it is important to know whether tetracycline residues are stable at that temperature and for how long. Control raw milk samples fortified with 50 ppb each chlortetracycline, demeclocycline, methacycline hydrochloride, minocycline, oxytetracycline, and tetracycline were incubated at 4 degrees C or 25 degrees C, then analyzed using a metal chelate affinity chromatography extraction and HPLC. No loss of tetracycline was observed after 48 h of storage at 4 degrees C or 24 h at 25 degrees C. Losses ranging from 4 to 13% and 0 to 18% were noted after 72 h at 4 degrees C and 48 h at 25 degrees C, respectively. |
| Decomposition | When heated to decomposition it emits very toxic fumes of /hydrogen chloride & nitrogen oxides/. |
| pH | ABOUT 4.8 (1 IN 100 SOLN) |
| Other Experimental Properties | MP: 174-178 (decomposes). Specific optical rotation = -258 °C for D (sodium) line (c = 0.5 in 0.1N H2SO4) /Sesquihydrate/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 464.9 g/mol |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 2 |
| Exact Mass | 464.0986433 g/mol |
| Monoisotopic Mass | 464.0986433 g/mol |
| Topological Polar Surface Area | 182 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 961 |
| 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
Demeclocycline is tetracycline which lacks the methyl substituent at position 7 and in which the hydrogen para- to the phenolic hydroxy group is substituted by chlorine. Like tetracycline, it is an antibiotic, but being excreted more slowly, effective blood levels are maintained for longer. It is used (mainly as the hydrochloride) for the treatment of Lyme disease, acne and bronchitis, as well as for hyponatraemia (low blood sodium concentration) due to the syndrome of inappropriate antidiuretic hormone (SIADH) where fluid restriction alone has been ineffective. It has a role as an antibacterial drug, a geroprotector and an aquaretic.