85079-48-7
Product Name:
BREVETOXIN PBTX-3
Formula:
C50H72O14
Synonyms:
Brevetoxin PbTx-3, Ptychodiscus brevis - CAS 85079-48-7 - Calbiochem;Pumiliotoxin, Dihydrobrevetoxin B
Inquiry
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Environment GHS09 |
| GHS Hazard Statements |
H300:Acute toxicity,oral H410:Hazardous to the aquatic environment, long-term hazard |
| 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. P273:Avoid release to the environment. P391:Collect spillage. Hazardous to the aquatic environment P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P405:Store locked up. |
COMPUTED DESCRIPTORS
| Molecular Weight | 897.1 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 3 |
| Exact Mass | 896.49220697 g/mol |
| Monoisotopic Mass | 896.49220697 g/mol |
| Topological Polar Surface Area | 159 Ų |
| Heavy Atom Count | 64 |
| Formal Charge | 0 |
| Complexity | 1910 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 23 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Brevetoxin 3 is a natural product found in Karenia brevis with data available.