CHEBI:135201 - rotraxate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name rotraxate
ChEBI ID CHEBI:135201
Stars This entity has been manually annotated by a third party.
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Formula C17H23NO3
Net Charge 0
Average Mass 289.370
Monoisotopic Mass 289.16779
InChI InChI=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-
InChIKey NVBZUCIQNYPGCI-CTYIDZIISA-N
SMILES C(=O)(C1=CC=C(C=C1)CCC(O)=O)[C@H]2CC[C@@H](CC2)CN
ChEBI Ontology
Outgoing rotraxate (CHEBI:135201) is a aromatic ketone (CHEBI:76224)
Synonyms Sources
rotraxate hydrochloride DrugCentral
traxaprone DrugCentral
Manual Xref Database
3826 DrugCentral
View more database links
Registry Number Type Source
92071-51-7 CAS Registry Number DrugCentral
Last Modified
23 February 2017