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CHEBI:135865 - bisoctrizole

ChEBI IDCHEBI:135865
ChEBI Namebisoctrizole
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC41H50N6O2
Net Charge0
Average Mass658.891
Monoisotopic Mass658.39952
SMILESCC(C)(C)CC(C)(C)c1cc(Cc2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=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
InChIKeyFQUNFJULCYSSOP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
bisoctrizole (CHEBI:135865) is a diarylmethane (CHEBI:51614)
Synonym  Source
bisoctyltriazoleDrugCentral
Manual XrefsDatabases
3031DrugCentral
Registry NumbersSources
CAS:103597-45-1DrugCentral