CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Crystals |
|---|---|
| Melting Point | 195 °C |
| Solubility | MP IS UNCHARACTERISTIC SHOWING DECOMP ABOVE APPROX 165 °C; ODORLESS OR HAS NOT MORE THAN SLIGHT ODOR; WHITE TO YELLOWISH WHITE OR REDDISH WHITE CRYSTALLINE POWDER; 1 G SOL IN 200 ML WATER, 165 ML ALCOHOL, 3400 ML CHLOROFORM; PRACTICALLY INSOL IN ETHER /MALEATE/ |
| Optical Rotation | Specific optical rotation: -45 deg at 20 °C/D |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| Other Experimental Properties | Crystals; sparingly soluble in water /Methysergide tartrate/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 353.5 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 353.21032711 g/mol |
| Monoisotopic Mass | 353.21032711 g/mol |
| Topological Polar Surface Area | 57.5 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 578 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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
(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide is an ergoline alkaloid.