CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Melting Point | 220.5-222 |
| Solubility | 800 mg/L (at 25 °C) |
| LogP | 6.3 |
| Decomposition | When heated to decomp it emits very toxic fumes of hydrogen chloride and oxides of nitrogen /Diphenoxylate hydrochloride/ |
| Collision Cross Section | 216.5 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated] |
| Other Experimental Properties | WHITE CRYSTALLINE POWDER; ODORLESS; PH OF SATURATED SOLN ABOUT 3.3. /DIPHENOXYLATE HYDROCLORIDE/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 452.6 g/mol |
|---|---|
| XLogP3 | 5.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 9 |
| Exact Mass | 452.246378268 g/mol |
| Monoisotopic Mass | 452.246378268 g/mol |
| Topological Polar Surface Area | 53.3 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 666 |
| 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
Diphenoxylate is a piperidinecarboxylate ester that is the ethyl ester of difenoxin. It has a role as an antidiarrhoeal drug. It is a nitrile, a piperidinecarboxylate ester, a tertiary amine and an ethyl ester. It is functionally related to a difenoxin.