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CHEBI:228388 - MJN110

ChEBI IDCHEBI:228388
ChEBI NameMJN110
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H21Cl2N3O4
Net Charge0
Average Mass462.333
Monoisotopic Mass461.09091
SMILESO=C(ON1C(=O)CCC1=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H21Cl2N3O4/c23-17-5-1-15(2-6-17)21(16-3-7-18(24)8-4-16)25-11-13-26(14-12-25)22(30)31-27-19(28)9-10-20(27)29/h1-8,21H,9-14H2
InChIKeyBEADRWVIFHOSGN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
MJN110 (CHEBI:228388) is a diarylmethane (CHEBI:51614)
IUPAC Name 
(2,5-dioxopyrrolidin-1-yl) 4-[bis(4-chlorophenyl)methyl]piperazine-1-carboxylate
Manual XrefsDatabases
HMDB0254772HMDB
34975859ChemSpider
D81272KEGG DRUG