CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | Prisms from methanol, acetone |
| Melting Point | 172 °C |
| Solubility | 25 mg/mL |
| LogP | 1.2 |
| Stability/Shelf Life | It must be protected from light and heat /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 | SPECIFIC ROTATION: +44 TO +55; PH (1 IN 5000 SOLN) BETWEEN 4.4 & 5.2 /MALEATE/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 339.4 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 339.19467705 g/mol |
| Monoisotopic Mass | 339.19467705 g/mol |
| Topological Polar Surface Area | 68.4 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 549 |
| 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]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is an ergoline alkaloid.