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CHEBI:193904 - Clozapine glucuronide

ChEBI IDCHEBI:193904
ChEBI NameClozapine glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H27ClN4O6
Net Charge0
Average Mass502.955
Monoisotopic Mass502.16191
SMILESCN1CCN(C2=Nc3cc(Cl)ccc3N([C@H]3O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)c3ccccc32)CC1
InChIInChI=1S/C24H27ClN4O6/c1-27-8-10-28(11-9-27)22-14-4-2-3-5-16(14)29(17-7-6-13(25)12-15(17)26-22)23-20(32)18(30)19(31)21(35-23)24(33)34/h2-7,12,18-21,23,30-32H,8-11H2,1H3,(H,33,34)/t18-,19-,20+,21-,23+/m1/s1
InChIKeyYWWIDMPXCSUNRD-VZWAGXQNSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
ChEBI Ontology
Outgoing Relation(s)
Clozapine glucuronide (CHEBI:193904) is a dibenzodiazepine (CHEBI:64051)
IUPAC Name 
(2R,3R,4R,5S,6S)-6-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
30778608ChemSpider
HMDB0060901HMDB