EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:135706 - niperotidine

ChEBI IDCHEBI:135706
ChEBI Nameniperotidine
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC20H26N4O5S
Net Charge0
Average Mass434.518
Monoisotopic Mass434.16239
SMILESCN(C)Cc1ccc(CSCCNC(=C[N+](=O)[O-])NCc2ccc3c(c2)OCO3)o1
InChIInChI=1S/C20H26N4O5S/c1-23(2)11-16-4-5-17(29-16)13-30-8-7-21-20(12-24(25)26)22-10-15-3-6-18-19(9-15)28-14-27-18/h3-6,9,12,21-22H,7-8,10-11,13-14H2,1-2H3
InChIKeyHXRSXEDVVARPHP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
niperotidine (CHEBI:135706) is a benzodioxoles (CHEBI:38298)
Synonyms  Source
niperotidine HClDrugCentral
niperotidine hydrochlorideDrugCentral
perultidDrugCentral
piperonyl ranitidine HClDrugCentral
piperonyl ranitidine hydrochlorideDrugCentral
Manual XrefsDatabases
4002DrugCentral
Registry NumbersSources
CAS:84845-75-0DrugCentral