EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:143461 - ketoitraconazole

ChEBI IDCHEBI:143461
ChEBI Nameketoitraconazole
Stars
Submittermwilliams
DownloadsMolfile
FormulaC35H36Cl2N8O5
Net Charge0
Average Mass719.630
Monoisotopic Mass718.21857
SMILESCC(=O)C(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O
InChIInChI=1S/C35H36Cl2N8O5/c1-24(25(2)46)45-34(47)44(23-40-45)29-6-4-27(5-7-29)41-13-15-42(16-14-41)28-8-10-30(11-9-28)48-18-31-19-49-35(50-31,20-43-22-38-21-39-43)32-12-3-26(36)17-33(32)37/h3-12,17,21-24,31H,13-16,18-20H2,1-2H3/t24?,31-,35-/m0/s1
InChIKeyGZEZATDDANETAV-QQPVTLCMSA-N
ChEBI Ontology
Outgoing Relation(s)
ketoitraconazole (CHEBI:143461) is a piperazines (CHEBI:26144)