EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:135438 - pipethanate

ChEBI IDCHEBI:135438
ChEBI Namepipethanate
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC21H25NO3
Net Charge0
Average Mass339.435
Monoisotopic Mass339.18344
SMILESO=C(OCCN1CCCCC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO3/c23-20(25-17-16-22-14-8-3-9-15-22)21(24,18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,24H,3,8-9,14-17H2
InChIKeyRZWPJFMNFATBEG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
pipethanate (CHEBI:135438) is a diarylmethane (CHEBI:51614)
Synonyms  Source
pipethanate ethobromideDrugCentral
piperilateDrugCentral
pipethanate hydrochlorideDrugCentral
pipethanate HClDrugCentral
Manual XrefsDatabases
2191DrugCentral
Registry NumbersSources
CAS:4546-39-8DrugCentral