Monastrol

Chemical Information
Monastrol is a racemate comprising equimolar amounts of R- and S-monastrol. It has a role as an antineoplastic agent, an EC 3.5.1.5 (urease) inhibitor, an antimitotic and an antileishmanial agent. It contains a (R)-monastrol and a (S)-monastrol.
| CAS Number | 329689-23-8 |
| PubChem CID | 2987927 |
| IUPAC Name | ethyl 4-(3-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate |
| Molecular Formula | C14H16N2O3S |
| Molecular Weight | 292.36 |
| XLogP | 1.6 |
| Topological Polar Surface Area | 103 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 436 |
| Property | Value |
|---|---|
| Molecular Weight | 292.36 |
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 292.08816355 |
| Monoisotopic Mass | 292.08816355 |
| Topological Polar Surface Area | 103 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 436 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
Alternative Products
| Catalog | Name |
|---|---|
| HY-101071A-01 | Monastrol |
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