364-62-5
Product Name:
4-Amino-5-chloro-N-(2-(diethylamino)ethyl)-2-methoxybenzamide
Formula:
C14H22ClN3O2
Synonyms:
4-Amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;Methoxychloroprocainamide
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Boiling Point | 418.7 |
| Melting Point | 171-173 |
| Solubility | Crystal; decomposes at 145 °C. Solubility at 25 °C (g/100 mL): water 48; ethanol (95%) 9; absolute ethanol 6; benzene 0.10; chloroform 0.10. Stable in acidic solutions. Unstable in strongly alkaline solutions. /Metoclopramide Dihydrochloride monohydrate/ |
| LogP | 2.667 |
| LogS | -3.18 |
| Stability/Shelf Life | Metoclopramide hydrochloride is photosensitive and will degrade when exposed to light. Commercially available preparations of metoclopramide hydrochloride should be protected from light. The commercially available tablets are stable for 3 years and the oral solution and injection are stable for 5 years after manufacture. |
| Decomposition | When heated to decomposition it emits very toxic fumes of /nitrogen oxides and hydrogen chloride/. |
| Dissociation Constants | 9.33 |
| Collision Cross Section | 173.2 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Kovats Retention Index | 2602 2630 2650 2624 2617.6 2630 |
| Other Experimental Properties | White crystalline powder; mp 182.5-184 °C. Soluble in water /Metoclopramide monohydrochloride monohydrate/ |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 299.79 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 299.1400546 g/mol |
| Monoisotopic Mass | 299.1400546 g/mol |
| Topological Polar Surface Area | 67.6 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 300 |
| 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
Metoclopramide is a member of the class of benzamides resulting from the formal condensation of 4-amino-5-chloro-2-methoxybenzoic acid with the primary amino group of N,N-diethylethane-1,2-diamine. It has a role as an antiemetic, a dopaminergic antagonist, a gastrointestinal drug, a xenobiotic and an environmental contaminant. It is a tertiary amino compound, a substituted aniline, a member of benzamides and a member of monochlorobenzenes. It is a conjugate base of a metoclopramide(1+).