Neuro Behavior Ontology

Last uploaded: May 11, 2018
Preferred Name

anastrozole

Synonyms

Anastrozol

alpha,alpha,alpha',alpha'-Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile

anastrozole

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

charge

0

database_cross_reference

LINCS:LSM-5631

CAS:120511-73-1

Patent:EP296749

KEGG:D00960

KEGG:C08159

DrugBank:DB01217

Drug_Central:210

Beilstein:8005958

Patent:US4935437

Wikipedia:Anastrozole

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 role

http://purl.obolibrary.org/obo/CHEBI_35610

http://purl.obolibrary.org/obo/CHEBI_50790

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

http://purl.obolibrary.org/obo/chebi#3_STAR

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

293.164

notation

CHEBI:2704

prefixIRI

CHEBI:2704

prefLabel

anastrozole

smiles

CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)C(C)(C)C#N

subClassOf

http://purl.obolibrary.org/obo/CHEBI_18379

http://purl.obolibrary.org/obo/CHEBI_35727

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http://purl.bioontology.org/ontology/PDQ/CDR0000042540 Physician Data Query LOOM
http://purl.bioontology.org/ontology/RXNORM/84857 RxNORM LOOM
http://purl.bioontology.org/ontology/RXNORM/84857 NIH NLM Value Sets LOOM
http://purl.jp/bio/4/id/200906019270193900 Interlinking Ontology for Biological Concepts LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/386910003 SNOMED CT LOOM
http://purl.obolibrary.org/obo/CHEBI_2704 Ontology of Drug Neuropathy Adverse Events LOOM
http://purl.obolibrary.org/obo/CHEBI_2704 Ontology of Drug Neuropathy Adverse Events SAME_URI
http://purl.obolibrary.org/obo/CHEBI_2704 BioModels Ontology LOOM
http://purl.obolibrary.org/obo/CHEBI_2704 BioModels Ontology SAME_URI
http://purl.obolibrary.org/obo/CHEBI_2704 Cell Culture Ontology LOOM
http://purl.obolibrary.org/obo/CHEBI_2704 Cell Culture Ontology SAME_URI
http://purl.obolibrary.org/obo/CHEBI_2704 The Drug-Drug Interactions Ontology LOOM
http://purl.obolibrary.org/obo/CHEBI_2704 The Drug-Drug Interactions Ontology SAME_URI
http://purl.obolibrary.org/obo/CHEBI_2704 The Drug Ontology LOOM
http://purl.obolibrary.org/obo/CHEBI_2704 The Drug Ontology SAME_URI
http://purl.obolibrary.org/obo/CHEBI_2704 Experimental Factor Ontology LOOM
http://purl.obolibrary.org/obo/CHEBI_2704 Experimental Factor Ontology SAME_URI
http://purl.obolibrary.org/obo/CHEBI_2704 Chemical Entities of Biological Interest Ontology LOOM
http://purl.obolibrary.org/obo/CHEBI_2704 Chemical Entities of Biological Interest Ontology SAME_URI
http://purl.bioontology.org/ontology/MESH/C090450 Medical Subject Headings LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C090450 Robert Hoehndorf Version of MeSH LOOM
http://www.co-ode.org/ontologies/galen#Anastrozole Galen Ontology LOOM
http://purl.bioontology.org/ontology/UATC/L02BG03 Anatomical Therapeutic Chemical Classification LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/108774000 SNOMED CT LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000148427 National Drug File - Reference Terminology LOOM
http://www.drugbank.ca/drugs/DB01217 Functional Therapeutic Chemical Classification System LOOM
http://purl.bioontology.org/ontology/VANDF/4020948 Veterans Health Administration National Drug File LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1607 National Cancer Institute Thesaurus LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1607 National Cancer Institute Thesaurus LOOM
http://purl.bioontology.org/ontology/NDDF/005094 National Drug Data File LOOM
http://purl.bioontology.org/ontology/RCD/heC.. Read Codes, Clinical Terms Version 3 (CTV3) LOOM