CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | BRIGHT YELLOW-ORANGE AMORPHOUS SOLID |
|---|---|
| Boiling Point | 753.2 |
| Solubility | 52000 mg/L (at 25 °C) |
| LogP | 0.05 |
| Stability/Shelf Life | STABLE IN AIR WHEN PROTECTED FROM LIGHT & MOISTURE; STRONG LIGHT &/OR MOIST AIR CAUSES IT TO DARKEN /HYDROCHLORIDE/ |
| Optical Rotation | SPECIFIC ROTATION: -166 DEG @ 25 °C/D (C= 0.524%); MAX ABSORPTION (0.1 N HCL): 352 & 263 NM (LOG E= 4.16 & 4.23); MAX ABSORPTION (0.1 N NAOH): 380 & 243 NM (LOG E= 4.30 & 4.38) |
| Decomposition | When heated to decomposition it emits toxic fumes of nitroxides. |
| Other Experimental Properties | ODORLESS; SLIGHTLY BITTER TASTE; SLIGHTLY HYGROSCOPIC; PH OF 1% SOLN BETWEEN 3.5 & 4.5;/HYDROCHLORIDE/ PKA1= 2.8; PKA2= 5.0; PKA3= 7.8; PKA4= 9.3 /HYDROCHLORIDE/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 457.5 g/mol |
|---|---|
| XLogP3 | -0.6 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 3 |
| Exact Mass | 457.18490021 g/mol |
| Monoisotopic Mass | 457.18490021 g/mol |
| Topological Polar Surface Area | 165 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 971 |
| 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
Minocycline is a tetracycline analogue having a dimethylamino group at position 7 and lacking the methyl and hydroxy groups at position 5. It has a role as an antibacterial drug, an Escherichia coli metabolite and a geroprotector. It is a member of tetracyclines, a tetracenomycin and a tertiary alpha-hydroxy ketone. It is a conjugate acid of a minocycline(1-). It is a tautomer of a minocycline zwitterion.