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CHEBI:188777 - Pramiconazole

ChEBI IDCHEBI:188777
ChEBI NamePramiconazole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H39F2N7O4
Net Charge0
Average Mass659.738
Monoisotopic Mass659.30316
SMILESCC(C)N1CCN(c2ccc(N3CCN(c4ccc(OC[C@H]5OC[C@](Cn6cncn6)(c6ccc(F)cc6F)O5)cc4)CC3)cc2)C1=O
InChIInChI=1S/C35H39F2N7O4/c1-25(2)43-17-18-44(34(43)45)29-6-4-27(5-7-29)40-13-15-41(16-14-40)28-8-10-30(11-9-28)46-20-33-47-22-35(48-33,21-42-24-38-23-39-42)31-12-3-26(36)19-32(31)37/h3-12,19,23-25,33H,13-18,20-22H2,1-2H3/t33-,35+/m0/s1
InChIKeyAEKNYBWUEYNWMJ-QWOOXDRHSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
Pramiconazole (CHEBI:188777) is a piperazines (CHEBI:26144)
IUPAC Name 
1-[4-[4-[4-[[(2S,4R)-4-(2,4-diluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-3-propan-2-ylimidazolidin-2-one
Manual XrefsDatabases
2281806ChemSpider
DB06295DrugBank
D06630KEGG DRUG
Registry NumbersSources
CAS:219923-85-0ChemIDplus