Midostaurin

Chemical Information
Midostaurin is an organic heterooctacyclic compound that is the N-benzoyl derivative of staurosporine. It has a role as an antineoplastic agent and an EC 2.7.11.13 (protein kinase C) inhibitor. It is a member of benzamides, an organic heterooctacyclic compound, an indolocarbazole and a gamma-lactam. It is functionally related to a staurosporine.
| CAS Number | 120685-11-2 |
| PubChem CID | 9829523 |
| IUPAC Name | N-[(2S,3R,4R,6R)-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylbenzamide |
| Molecular Formula | C35H30N4O4 |
| Molecular Weight | 570.6 |
| XLogP | 4.8 |
| Topological Polar Surface Area | 77.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 1140 |
| Property | Value |
|---|---|
| Molecular Weight | 570.6 |
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 570.22670545 |
| Monoisotopic Mass | 570.22670545 |
| Topological Polar Surface Area | 77.7 Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 1140 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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