CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Melting Point | 191-192 °C |
| Solubility | 2.9 mg/mL (in pH 5.2 water) |
| LogP | 5.2 |
| Decomposition | When heated to decomposition, material emits very toxic fumes of /hydrogen chloride/ and /nitrogen oxides/. Emits toxic fumes |
| Collision Cross Section | 168 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Other Experimental Properties | White to cream crystalline powder /Sibutramine hydrochloride monohydrate/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 279.8 g/mol |
|---|---|
| XLogP3 | 5.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 5 |
| Exact Mass | 279.1753775 g/mol |
| Monoisotopic Mass | 279.1753775 g/mol |
| Topological Polar Surface Area | 3.2 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 275 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Sibutramine is an organochlorine compound and a tertiary amino compound. It has a role as an anti-obesity agent and a serotonin uptake inhibitor.