CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Melting Point | 165-166 |
| Solubility | SOL IN WATER ABOUT 25% /HYDROCHLORIDE/ |
| LogP | 5.5 |
| Stability/Shelf Life | STABLE IN AIR & TO MODERATE HEAT /HYDROCHLORIDE/ |
| Kovats Retention Index | 2095 2091 2091 2080 2100 2106 2144 2110 2080 2091 2095 2095 2096 2099 2100 2080 2075 2120 2097 |
| Other Experimental Properties | MP 164-166 °C /HYDROCHLORIDE/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 309.5 g/mol |
|---|---|
| XLogP3 | 5.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 8 |
| Exact Mass | 309.266779359 g/mol |
| Monoisotopic Mass | 309.266779359 g/mol |
| Topological Polar Surface Area | 29.5 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 326 |
| 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
Dicyclomine is the ester resulting from the formal condensation of 1-cyclohexylcyclohexanecarboxylic acid with 2-(diethylamino)ethanol. An anticholinergic, it is used as the hydrochloride to treat or prevent spasm in the muscles of the gastrointestinal tract, particularly that associated with irritable bowel syndrome. It has a role as a muscarinic antagonist, an antispasmodic drug and a parasympatholytic. It is a tertiary amine and a carboxylic ester. It is functionally related to a 2-diethylaminoethanol and a 1,1'-bi(cyclohexyl)-1-carboxylic acid.