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CHEBI:135201 - rotraxate

ChEBI IDCHEBI:135201
ChEBI Namerotraxate
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC17H23NO3
Net Charge0
Average Mass289.375
Monoisotopic Mass289.16779
SMILESNC[C@H]1CC[C@H](C(=O)c2ccc(CCC(=O)O)cc2)CC1
InChIInChI=1S/C17H23NO3/c18-11-13-3-8-15(9-4-13)17(21)14-6-1-12(2-7-14)5-10-16(19)20/h1-2,6-7,13,15H,3-5,8-11,18H2,(H,19,20)/t13-,15-
InChIKeyNVBZUCIQNYPGCI-CTYIDZIISA-N
ChEBI Ontology
Outgoing Relation(s)
rotraxate (CHEBI:135201) is a aromatic ketone (CHEBI:76224)
Synonyms  Source
traxaproneDrugCentral
rotraxate hydrochlorideDrugCentral
Manual XrefsDatabases
3826DrugCentral
Registry NumbersSources
CAS:92071-51-7DrugCentral