CHEMICAL AND PHYSICAL PROPERTIES
| Boiling Point | 547.8 ºC at 760 mm Hg |
|---|---|
| Melting Point | 135ºC |
| Solubility | 81 mg/ml |
| LogP | 4.27 |
| Dissociation Constants | 10 |
| Collision Cross Section | 180.8 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Other Experimental Properties | Crystals from acetone+ether, mp 143 °C. UV max: 259 nm (Em = 437). Soluble in water. pH about 6 /Mesylate/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 307.4 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 307.193614421 g/mol |
| Monoisotopic Mass | 307.193614421 g/mol |
| Topological Polar Surface Area | 12.5 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 340 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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
Benzatropine is tropane in which a hydrogen at position 3 is substituted by a diphenylmethoxy group (endo-isomer). An acetylcholine receptor antagonist, it is used (particularly as its methanesulphonate salt) in the treatment of Parkinson's disease, and to reduce parkinsonism and akathisia side effects of antipsychotic treatments. It has a role as an antiparkinson drug, a parasympatholytic, an antidyskinesia agent, a muscarinic antagonist and a oneirogen.