CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Melting Point | 220-228 |
| LogP | 5.13 |
| Ionization Efficiency | Positive |
| Collision Cross Section | 222.7 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Other Experimental Properties | Crystals from isopropanol. MP: 222-223 °C. UV Max (0.1N HCl.2-propanol, 10.90 v/v): 253, 259, 265, 273 nm (epsilon 532, 648, 581, 233). Freely soluble in chloroform; slightly soluble in dilute acids; very slightly soluble in isopropyl alcohol. Solubility (g/100 mL): water (pH 7.1) 0.14; citrate-phosphate (pH 6.1) 0.008; methanol 28.6; ethanol 5.37; 2-propanol 1.11; dichloromethane 35.1; acetone 0.20; ethyl acetate 0.035; diethyl ether <0.001; hexane <0.001; toluene 0.001; N,N-dimethylformamide 10.2; tetrahydrofuran 0.32; 4-methyl-2-pentanone 0.02; propylene glycol 5.64; polyethylene glycol 400 1.40; dimethylsulfoxide 20.5; 2-butanone 0.18. pKa 8.66. Practically insoluble at physiological pH (0.002%). Stable, can be stored for several years under normal conditions; not hygroscopic; not affected by light /Loperamide hydrochloride/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 477.0 g/mol |
|---|---|
| XLogP3 | 5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 7 |
| Exact Mass | 476.2230560 g/mol |
| Monoisotopic Mass | 476.2230560 g/mol |
| Topological Polar Surface Area | 43.8 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 623 |
| 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
Loperamide is a synthetic piperidine derivative, effective against diarrhoea resulting from gastroenteritis or inflammatory bowel disease. It has a role as a mu-opioid receptor agonist, an antidiarrhoeal drug and an anticoronaviral agent. It is a member of piperidines, a monocarboxylic acid amide, a member of monochlorobenzenes and a tertiary alcohol. It is a conjugate base of a loperamide(1+).