Chemical Entities of Biological Interest Ontology

Last uploaded: May 1, 2024

Preferred Name	bisoctrizole
Synonyms	bisoctyltriazole
ID	http://purl.obolibrary.org/obo/CHEBI_135865
charge	0
database_cross_reference	Drug_Central:3031 CAS:103597-45-1
formula	C41H50N6O2
has_obo_namespace	chebi_ontology
has_related_synonym	bisoctyltriazole
id	CHEBI:135865
in_subset	http://purl.obolibrary.org/obo/chebi#2_STAR
inchi	InChI=1S/C41H50N6O2/c1-38(2,3)24-40(7,8)28-20-26(36(48)34(22-28)46-42-30-15-11-12-16-31(30)43-46)19-27-21-29(41(9,10)25-39(4,5)6)23-35(37(27)49)47-44-32-17-13-14-18-33(32)45-47/h11-18,20-23,48-49H,19,24-25H2,1-10H3
inchikey	FQUNFJULCYSSOP-UHFFFAOYSA-N
label	bisoctrizole
mass	658.876
monoisotopicmass	658.39952
notation	CHEBI:135865
prefLabel	bisoctrizole
smiles	OC=1C(N2N=C3C(=N2)C=CC=C3)=CC(=CC1CC4=C(O)C(=CC(=C4)C(CC(C)(C)C)(C)C)N5N=C6C(=N5)C=CC=C6)C(CC(C)(C)C)(C)C
treeView	http://purl.obolibrary.org/obo/CHEBI_51614
subClassOf	http://purl.obolibrary.org/obo/CHEBI_51614

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_135865	BERO	SAME_URI
https://go.drugbank.com/drugs/DB11262	MDM	LOOM
http://purl.bioontology.org/ontology/RXNORM/1310510	RXNORM	LOOM
http://purl.bioontology.org/ontology/NDDF/015430	NDDF	LOOM
http://purl.obolibrary.org/obo/CHEBI_135865	BERO	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C65266	NCIT	LOOM
http://purl.obolibrary.org/obo/NCIT_C65266	BERO	LOOM