58735-64-1
Product Name:
ROQUEFORTINE C
Formula:
C22H23N5O2
Synonyms:
2H-Pyrazino[1′,2′:1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione, 10b-(1,1-dimethyl-2-propen-1-yl)-6,10b,11,11a-tetrahydro-3-(1H-imidazol-5-ylmethylene)-,(3E,5aS,10bR,11aS)-;Roquefortine from Penicillium roqueforti
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; [MSDSonline] |
|---|---|
| Melting Point | 202-205 °C |
| Chemical Classes | Biological Agents -> Mycotoxins |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 389.4 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 389.18517499 g/mol |
| Monoisotopic Mass | 389.18517499 g/mol |
| Topological Polar Surface Area | 90.1 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 777 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Roquefortine C is a pyrroloindole.