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CHEBI:2704 - anastrozole
| Formula | C17H19N5 |
| Net Charge | 0 |
| Average Mass | 293.374 |
| Monoisotopic Mass | 293.16405 |
| SMILES | CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1 |
| InChI | InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3 |
| InChIKey | YBBLVLTVTVSKRW-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Role: | EC 1.14.14.14 (aromatase) inhibitor An EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor which interferes with the action of aromatase (EC 1.14.14.14) and so reduces production of estrogenic steroid hormones. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| anastrozole (CHEBI:2704) has role antineoplastic agent (CHEBI:35610) |
| anastrozole (CHEBI:2704) has role EC 1.14.14.14 (aromatase) inhibitor (CHEBI:50790) |
| anastrozole (CHEBI:2704) is a nitrile (CHEBI:18379) |
| anastrozole (CHEBI:2704) is a triazoles (CHEBI:35727) |
| Incoming Relation(s) |
| 1-{[3,5-bis(1-cyano-1-methylethyl)phenyl]methyl}-4-[(3S,4R,5R,6R)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]-1,2,4lambda5-triazol-4-ylium (CHEBI:143328) has functional parent anastrozole (CHEBI:2704) |
| IUPAC Name |
|---|
| 2,2'-[5-(1H-1,2,4-triazol-1-ylmethyl)-1,3-phenylene]bis(2-methylpropanenitrile) |
| INN | Source |
|---|---|
| anastrozole | KEGG DRUG |
| Synonyms | Source |
|---|---|
| Anastrozol | DrugBank |
| α,α,α',α'-Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Beilstein:8005958 | Beilstein |
| CAS:120511-73-1 | KEGG COMPOUND |
| CAS:120511-73-1 | KEGG DRUG |
| CAS:120511-73-1 | DrugBank |
| CAS:120511-73-1 | ChemIDplus |