CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Boiling Point | 577.8ºC at 760 mmHg |
| Melting Point | 91ºC |
| Solubility | Slightly soluble |
| LogP | 1.08 |
| Dissociation Constants | 9.3 |
| Collision Cross Section | 188.8 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated] |
COMPUTED DESCRIPTORS
| Molecular Weight | 398.5 g/mol |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 398.22055744 g/mol |
| Monoisotopic Mass | 398.22055744 g/mol |
| Topological Polar Surface Area | 54.4 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 653 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| 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
Pholcodine is a morphinane alkaloid that is a derivative of morphine with a 2-morpholinoethyl group at the 3-position. It has a role as an antitussive, an opioid analgesic, a mu-opioid receptor agonist and a drug allergen. It is an organic heteropentacyclic compound and a morphinane alkaloid.