CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Melting Point | >300 |
| Solubility | >5mg/mL |
| LogP | -1.8 |
| LogS | -0.98 |
| Dissociation Constants | -1.1 |
| Other Experimental Properties | White, odorless or nearly odorless powder; freely soluble in water; practically insoluble in absolute ethanol and dichloromethane /Acamprosate calcium/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 181.21 g/mol |
|---|---|
| XLogP3 | -1.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 181.04087901 g/mol |
| Monoisotopic Mass | 181.04087901 g/mol |
| Topological Polar Surface Area | 91.8 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 215 |
| 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
Acamprosate is an organosulfonic acid that is propane-1-sulfonic acid substituted by an acetylamino group at position 3. It has a role as a neurotransmitter agent, an environmental contaminant and a xenobiotic. It is an organosulfonic acid and a member of acetamides.