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CHEBI:135507 - dopexamine

Default Structure
ChEBI IDCHEBI:135507
ChEBI Namedopexamine
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC22H32N2O2
Net Charge0
Average Mass356.510
Monoisotopic Mass356.24638
SMILESOc1ccc(CCNCCCCCCNCCc2ccccc2)cc1O
InChIInChI=1S/C22H32N2O2/c25-21-11-10-20(18-22(21)26)13-17-24-15-7-2-1-6-14-23-16-12-19-8-4-3-5-9-19/h3-5,8-11,18,23-26H,1-2,6-7,12-17H2
InChIKeyRYBJORHCUPVNMB-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
ChEBI Ontology
Outgoing Relation(s)
dopexamine (CHEBI:135507) is a catecholamine (CHEBI:33567)
Manual XrefsDatabases
948DrugCentral
HMDB0041882HMDB
Registry NumbersSources
CAS:86197-47-9DrugCentral