CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | Water 0.72 (mg/mL) |
|---|---|
| Stability/Shelf Life | Bulk: A sample stored at 60 °C in the dark for 30 days showed < 2% decomposition (HPLC). Solution: A sample in 5% DMA (1mg/mL) showed 18% decomposition after 8 hours at room temperature. (HPLC) |
COMPUTED DESCRIPTORS
| Molecular Weight | 364.35 g/mol |
|---|---|
| XLogP3 | 0 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 8 |
| Exact Mass | 364.13828437 g/mol |
| Monoisotopic Mass | 364.13828437 g/mol |
| Topological Polar Surface Area | 117 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 671 |
| 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
Diaziquone is a 1,4-benzoquinone that is substituted at positions 2 and 5 have been replaced by aziridin-1-yl groups and at positions 3 and 6 by (ethoxycarbonyl)amino groups. It has a role as an antineoplastic agent and an alkylating agent. It is a carbamate ester, a member of aziridines, an enamine and a member of 1,4-benzoquinones.