loading...| Preferred Name |
anastrozole |
|
| Synonyms |
2,2'-[5-(1H-1,2,4-triazol-1-ylmethyl)-1,3-phenylene]bis(2-methylpropanenitrile) Anastrozol alpha,alpha,alpha',alpha'-Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile anastrozole |
|
| Definitions |
A 1,2,4-triazole compound having a 3,5-bis(2-cyano-2-propyl)benzyl group at the 1-position. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_2704 |
|
| charge |
0 |
|
| database_cross_reference |
KEGG:D00960 Patent:US4935437 LINCS:LSM-5631 Wikipedia:Anastrozole Drug_Central:210 KEGG:C08159 Beilstein:8005958 CAS:120511-73-1 DrugBank:DB01217 Patent:EP296749 |
|
| definition |
A 1,2,4-triazole compound having a 3,5-bis(2-cyano-2-propyl)benzyl group at the 1-position. |
|
| formula |
C17H19N5 |
|
| has_exact_synonym |
2,2'-[5-(1H-1,2,4-triazol-1-ylmethyl)-1,3-phenylene]bis(2-methylpropanenitrile) |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Anastrozol alpha,alpha,alpha',alpha'-Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile anastrozole |
|
| id |
CHEBI:2704 |
|
| in_subset | ||
| 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 |
|
| label |
anastrozole |
|
| mass |
293.36630 |
|
| monoisotopicmass |
293.16405 |
|
| notation |
CHEBI:2704 |
|
| prefLabel |
anastrozole |
|
| smiles |
CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)C(C)(C)C#N |
|
| subClassOf |