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Experimental Factor Ontology
Last uploaded:
February 17, 2025
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| Id | http://purl.obolibrary.org/obo/CHEBI_2704
http://purl.obolibrary.org/obo/CHEBI_2704
|
|---|---|
| Preferred Name | anastrozole |
| Definitions |
A 1,2,4-triazole compound having a 3,5-bis(2-cyano-2-propyl)benzyl group at the 1-position.
|
| Synonyms |
alpha,alpha,alpha',alpha'-Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile
anastrozole
Anastrozol
2,2'-[5-(1H-1,2,4-triazol-1-ylmethyl)-1,3-phenylene]bis(2-methylpropanenitrile)
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| definition | A 1,2,4-triazole compound having a 3,5-bis(2-cyano-2-propyl)benzyl group at the 1-position. |
|---|---|
| preferred label |
anastrozole
|
| label |
anastrozole
|
| prefLabel |
anastrozole
|
| database_cross_reference |
KEGG:C08159
Patent:EP296749
KEGG:D00960
DrugBank:DB01217
LINCS:LSM-5631
Patent:US4935437
CAS:120511-73-1
Drug_Central:210
Wikipedia:Anastrozole
Beilstein:8005958
See more
See less
|
| notation |
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
|
| has_related_synonym |
alpha,alpha,alpha',alpha'-Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile
anastrozole
Anastrozol
|
| id |
CHEBI:2704
|
| charge |
0
|
| has_obo_namespace |
chebi_ontology
|
| formula |
C17H19N5
|
| subClassOf | |
| inchikey |
YBBLVLTVTVSKRW-UHFFFAOYSA-N
|
| mass |
293.36630
|
| monoisotopicmass |
293.16405
|
| type | |
| smiles |
CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)C(C)(C)C#N
|
| has_exact_synonym |
2,2'-[5-(1H-1,2,4-triazol-1-ylmethyl)-1,3-phenylene]bis(2-methylpropanenitrile)
|
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