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Biological and Environmental Research Ontology
Last uploaded:
December 23, 2022
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| Preferred Name | anastrozole | |
| 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) |
|
| 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 |
|
| alternative term |
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)
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| bearer of | ||
| charge |
0
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| 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
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|
| definition |
A 1,2,4-triazole compound having a 3,5-bis(2-cyano-2-propyl)benzyl group at the 1-position.
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|
| formula |
C17H19N5
|
|
| has_exact_synonym |
2,2'-[5-(1H-1,2,4-triazol-1-ylmethyl)-1,3-phenylene]bis(2-methylpropanenitrile)
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| has_obo_namespace |
chebi_ontology
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| has_related_synonym |
alpha,alpha,alpha',alpha'-Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile anastrozole Anastrozol
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|
| 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
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|
| inchikey |
YBBLVLTVTVSKRW-UHFFFAOYSA-N
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|
| label |
anastrozole
|
|
| mass |
293.36630
|
|
| monoisotopicmass |
293.16405
|
|
| notation |
CHEBI:2704
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|
| prefLabel |
anastrozole
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|
| RO_0000087 | ||
| smiles |
CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)C(C)(C)C#N
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| subClassOf |
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