CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | White to off-white /hydrochloride/ |
| Odor | Odorless /hydrochloride/ |
| Boiling Point | 160 °C at 1.00E-01 mm Hg |
| Melting Point | 174-175 |
| Solubility | 18.2 mg/L (at 24 °C) |
| LogP | 4.8 |
| LogS | -4.19 |
| Stability/Shelf Life | Imipramine hydrochloride turns yellowish or reddish on exposure to light; slight discoloration does not affect potency, but marked discoloration is associated with loss of potency. Solutions of imipramine hydrochloride are stable at pH 4-5. During storage, minute crystals may form in the injection; the efficacy of the preparation is unaltered if the crystals are redissolved by immersing the ampul in hot water for 1 minute. /Imipramine hydrochloride/ |
| Decomposition | When heated to decomposition it emits toxic fumes of nitroxides. |
| Caco2 Permeability | -4.85 |
| Dissociation Constants | 9.51 |
| Collision Cross Section | 166.5 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Kovats Retention Index | 2226 2205 2218 2219 2220 2220 2220 2220 2220 2222 2222 2223 2223 2223 2223 2223 2225 2225 2225 2225 2225 2228 2228 2230 2230 2230 2230 2232 2232 2232 2232 2233 2235 2235 2235 2240 2242 2205 2205 2190 2215 2262 2212 2262 2222 2240 2210 2224.8 2215 2214.5 2214 2240 2260 2223 2232.1 2241.6 2208 2210 2212 2220 2215 2215 2234.7 |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H336:Specific target organ toxicity,single exposure; Narcotic effects H370:Specific target organ toxicity, single exposure H400:Hazardous to the aquatic environment, acute hazard |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P312:Call a POISON CENTER or doctor/physician if you feel unwell. P321:Specific treatment (see … on this label). P391:Collect spillage. Hazardous to the aquatic environment P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P307+P311:IF exposed: call a POISON CENTER or doctor/physician. P405:Store locked up. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 280.4 g/mol |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 280.193948774 g/mol |
| Monoisotopic Mass | 280.193948774 g/mol |
| Topological Polar Surface Area | 6.5 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 291 |
| 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
Imipramine is a dibenzoazepine that is 5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)propyl group at the nitrogen atom. It has a role as an adrenergic uptake inhibitor, an EC 3.4.21.26 (prolyl oligopeptidase) inhibitor and an antidepressant. It derives from a hydride of a 5H-dibenzo[b,f]azepine.