2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-1,2,4-triazol-3-one (CHEBI:94366)

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CHEBI:94366 - 2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-1,2,4-triazol-3-one

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ChEBI ID	CHEBI:94366
ChEBI Name	2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-1,2,4-triazol-3-one
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Last Modified	22 February 2017
Downloads	Molfile

Formula	C35H38Cl2N8O4
Net Charge	0
Average Mass	705.647
Monoisotopic Mass	704.23931
SMILES	CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O
InChI	InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3
InChIKey	VHVPQPYKVGDNFY-UHFFFAOYSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-1,2,4-triazol-3-one (CHEBI:94366) is a piperazines (CHEBI:26144)

Synonyms	Source
itrizole	DrugCentral
traconal	DrugCentral
oriconazole	DrugCentral
R-51211	DrugCentral
canditral	DrugCentral
triasporin	DrugCentral

Manual Xrefs	Databases
LSM-5032	LINCS
1513	DrugCentral

Registry Numbers	Sources
CAS:84625-61-6	DrugCentral