71320-77-9
Product Name:
Moclobemide
Formula:
C13H17ClN2O2
Synonyms:
4-Chloro-N-[2-(4-morpholinyl)ethyl]benzamide;Aurorix;Moclamine
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | Crystals from isopropanol |
| Boiling Point | 377 |
| Melting Point | 132 |
| Solubility | >40.3 [ug/mL] (The mean of the results at pH 7.4) |
| LogP | 10.6 |
| Dissociation Constants | 10.6 (ethanol-air) |
| Collision Cross Section | 162.5 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Kovats Retention Index | 2210 |
| Other Experimental Properties | Crystals from isopropanol; mp 208 /Hydrochloride/ |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H318:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. |
COMPUTED DESCRIPTORS
| Molecular Weight | 268.74 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 268.0978555 g/mol |
| Monoisotopic Mass | 268.0978555 g/mol |
| Topological Polar Surface Area | 41.6 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 262 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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
Moclobemide is a member of the class of benzamides that is benzamide substituted by a chloro group at position 4 and a 2-(morpholin-4-yl)ethyl group at the nitrogen atom. It acts as a reversible monoamine oxidase inhibitor and is used in the treatment of depression. It has a role as a xenobiotic, an environmental contaminant and an antidepressant. It is a member of monochlorobenzenes, a member of morpholines and a member of benzamides.