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CHEBI:135306 - ibopamine

ChEBI IDCHEBI:135306
ChEBI Nameibopamine
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC17H25NO4
Net Charge0
Average Mass307.390
Monoisotopic Mass307.17836
SMILESCNCCc1ccc(OC(=O)C(C)C)c(OC(=O)C(C)C)c1
InChIInChI=1S/C17H25NO4/c1-11(2)16(19)21-14-7-6-13(8-9-18-5)10-15(14)22-17(20)12(3)4/h6-7,10-12,18H,8-9H2,1-5H3
InChIKeyWDKXLLJDNUBYCY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
ibopamine (CHEBI:135306) is a benzoate ester (CHEBI:36054)
ibopamine (CHEBI:135306) is a phenols (CHEBI:33853)
Synonyms  Source
ibopamine HClDrugCentral
ibopamine hydrochlorideDrugCentral
Manual XrefsDatabases
1405DrugCentral
HMDB0041906HMDB
Registry NumbersSources
CAS:66195-31-1DrugCentral