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CHEBI:135580 - theodrenaline

ChEBI IDCHEBI:135580
ChEBI Nametheodrenaline
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC17H21N5O5
Net Charge0
Average Mass375.385
Monoisotopic Mass375.15427
SMILESCn1c(=O)c2c(ncn2CCNCC(O)c2ccc(O)c(O)c2)n(C)c1=O
InChIInChI=1S/C17H21N5O5/c1-20-15-14(16(26)21(2)17(20)27)22(9-19-15)6-5-18-8-13(25)10-3-4-11(23)12(24)7-10/h3-4,7,9,13,18,23-25H,5-6,8H2,1-2H3
InChIKeyWMCMJIGLYZDKRN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
theodrenaline (CHEBI:135580) is a oxopurine (CHEBI:25810)
Synonym  Source
(+/-)-TheodrenalineDrugCentral
Manual XrefsDatabases
2619DrugCentral
Registry NumbersSources
CAS:13460-98-5DrugCentral