CHEMICAL AND PHYSICAL PROPERTIES
| Boiling Point | 899.3 ºC at 760 mm Hg |
|---|---|
| Melting Point | 213-215 ºC |
| Solubility | 10 mg/ml |
| LogP | 5.86 |
| Dissociation Constants | 6.9 |
COMPUTED DESCRIPTORS
| Molecular Weight | 611.7 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 611.31076943 g/mol |
| Monoisotopic Mass | 611.31076943 g/mol |
| Topological Polar Surface Area | 118 Ų |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
| Complexity | 1210 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 7 |
| 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
Dihydroergocristine is ergocristine in which a single bond replaces the double bond between positions 9 and 10. It is used as the mesylate salt for the symptomatic treatment of mental deterioration associated with cerebrovascular insufficiency and in peripheral vascular disease. It has a role as an adrenergic antagonist and a vasodilator agent. It is functionally related to an ergocristine. It derives from a hydride of an ergotaman.