CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Boiling Point | 406.6 ºC |
| Melting Point | 178-181 °C |
| Solubility | >39.5 [ug/mL] (The mean of the results at pH 7.4) |
| LogP | 1.34 |
| Stability/Shelf Life | Stable under recommended storage conditions. /Tramadol hydrochloride/ |
| Decomposition | When heated to decomposition it emits very toxic fumes of /nitrogen oxides/. |
| Dissociation Constants | 9.41 |
| Collision Cross Section | 161.4 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Other Experimental Properties | White, odorless crystalline powder. Bitter taste. MP: 180-181 °C. Readily soluble in water, ethanol, pKa 9.41. LogP: 1.35 (pH 7) /Tramadol hydrochloride/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 263.37 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 263.188529040 g/mol |
| Monoisotopic Mass | 263.188529040 g/mol |
| Topological Polar Surface Area | 32.7 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 282 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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
(R,R)-tramadol is a 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol in which both stereocentres have R-configuration; the (R,R)-enantiomer of the racemic opioid analgesic tramadol, it exhibits ten-fold higher analgesic potency than the (S,S)-enantiomer. It has a role as a delta-opioid receptor agonist, a kappa-opioid receptor agonist, a mu-opioid receptor agonist, an adrenergic uptake inhibitor, an antitussive, a capsaicin receptor antagonist, a muscarinic antagonist, a nicotinic antagonist, a NMDA receptor antagonist, an opioid analgesic, a serotonergic antagonist, a serotonin uptake inhibitor and a metabolite. It is a conjugate base of a (R,R)-tramadol(1+). It is an enantiomer of a (S,S)-tramadol.