117570-53-3
Product Name:
Vadimezan
Formula:
C17H14O4
Synonyms:
5,6-Dimethylxanthenone-4-acetic Acid;ASA404;Vadimezan
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SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H400:Hazardous to the aquatic environment, acute hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. |
COMPUTED DESCRIPTORS
| Molecular Weight | 282.29 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 282.08920892 g/mol |
| Monoisotopic Mass | 282.08920892 g/mol |
| Topological Polar Surface Area | 63.6 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 433 |
| 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
Vadimezan is a monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 5,6-dimethyl-9-oxoxanthen-4-yl group. It has a role as an antineoplastic agent. It is a member of xanthones and a monocarboxylic acid.