9-Hydroxyellipticine hydrochloride is a inhibitor of Topo II and RyR. 9-Hydroxyellipticine hydrochloride exhibits antitumor, antioxidant and catecholamine-releasing activities. 9-Hydroxyellipticine hydrochloride exhibits IC50 values of 1.6 μM and 1.2μM in Hela S-3 and 293T cells, respectively.
| Sonrisas canónicas | CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)O)C.Cl |
|---|---|
| IUPAC Name | 5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol;hydrochloride |
| InChIKey | DLDKVFOKLGPVBT-UHFFFAOYSA-N |
| INCHI | 1S/C17H14N2O.ClH/c1-9-14-8-18-6-5-12(14)10(2)17-16(9)13-7-11(20)3-4-15(13)19-17;/h3-8,19-20H,1-2H3;1H |
| Isómeros SMILES | CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)O)C.Cl |
| Peso molecular | 298.77 |
| Reaxy-Rn | 7784180 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7784180&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Indoles and derivatives |
| Subclass | Carbazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Carbazoles |
| Alternative Parents | Isoquinolines and derivatives Hydroxyindoles Indoles 1-hydroxy-2-unsubstituted benzenoids Pyridines and derivatives Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Carbazole - Hydroxyindole - Isoquinoline - Indole - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Pyridine - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring. |
| External Descriptors | Not available |
| Solubilidad | Soluble in PBS, and water. |
|---|---|
| Punto de ebullición (°C) | 557.7° C at 760 mmHg (Predicted) |
| Peso molecular | 298.800 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 298.087 Da |
| Monoisotopic Mass | 298.087 Da |
| Topological Polar Surface Area | 48.900 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 374.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
