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CHEBI:135510 - cafedrine

ChEBI IDCHEBI:135510
ChEBI Namecafedrine
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC18H23N5O3
Net Charge0
Average Mass357.414
Monoisotopic Mass357.18009
SMILESC[C@H](NCCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H](O)c1ccccc1
InChIInChI=1S/C18H23N5O3/c1-12(15(24)13-7-5-4-6-8-13)19-9-10-23-11-20-16-14(23)17(25)22(3)18(26)21(16)2/h4-8,11-12,15,19,24H,9-10H2,1-3H3/t12-,15-/m0/s1
InChIKeyUJSKUDDDPKGBJY-WFASDCNBSA-N
ChEBI Ontology
Outgoing Relation(s)
cafedrine (CHEBI:135510) is a oxopurine (CHEBI:25810)
Synonyms  Source
(-)-CafedrineDrugCentral
l-CafedrineDrugCentral
Manual XrefsDatabases
462DrugCentral
Registry NumbersSources
CAS:58166-83-9DrugCentral