CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | Solid |
| Melting Point | 270 °C |
| Solubility | 3220 mg/L (at 30 °C) |
| LogP | 2.72 |
| LogS | -1.89 |
| Stability/Shelf Life | Stable under recommended storage conditions. /Meperidine hydrochloride/ |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| Refractive Index | Index of refraction: 1.545 (alpha); 1.581 (beta); 1.618 (gamma) |
| Dissociation Constants | 8.7 |
| Collision Cross Section | 158.5 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Kovats Retention Index | 1770 1731 1730 1730 1720 1740 1756 1767 1741 1775 1739 1740 1760 1780 1780 1740 1751 1756.6 1754.7 1751.8 1754 1754.8 1730 1731 1731 1733 1733 1734 1740 1720 1736 1765 1750 1751 1759 1740 1740 |
| Other Experimental Properties | log Kow = 2.45 |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H225:Flammable liquids H370:Specific target organ toxicity, single exposure |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P311:Call a POISON CENTER or doctor/physician. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
| Molecular Weight | 247.33 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 247.157228913 g/mol |
| Monoisotopic Mass | 247.157228913 g/mol |
| Topological Polar Surface Area | 29.5 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 276 |
| 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
Pethidine is a piperidinecarboxylate ester that is piperidine which is substituted by a methyl group at position 1 and by phenyl and ethoxycarbonyl groups at position 4. It is an analgesic which is used for the treatment of moderate to severe pain, including postoperative pain and labour pain. It has a role as an opioid analgesic, a kappa-opioid receptor agonist, a mu-opioid receptor agonist and an antispasmodic drug. It is an ethyl ester, a piperidinecarboxylate ester and a tertiary amino compound. It is a conjugate base of a pethidine(1+).