130-86-9
Product Name:
Protopine
Formula:
C20H19NO5
Synonyms:
4,6,7,14-Tetrahydro-5-methylbis[1,3]benzodioxolo[4,5-c:5′,6′-g]azecin-13(5H)-one
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | Monoclinic prisms from alcohol + chloroform |
| Melting Point | 208 °C |
| Solubility | Practically insoluble in water |
| Density | 1.399 (calc) |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| Collision Cross Section | 178.3 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated] |
| Kovats Retention Index | 2730 2730 |
| Other Experimental Properties | Twinned crystals from methanol, decomposes at 217 °C /Protopine methiodide/ |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 353.4 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 0 |
| Exact Mass | 353.12632271 g/mol |
| Monoisotopic Mass | 353.12632271 g/mol |
| Topological Polar Surface Area | 57.2 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 542 |
| 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
Protopine is a dibenzazecine alkaloid isolated from Fumaria vaillantii. It has a role as a plant metabolite.