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CHEBI:752700 - stacofylline

Default Structure
ChEBI IDCHEBI:752700
ChEBI Namestacofylline
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC20H33N7O3
Net Charge0
Average Mass419.530
Monoisotopic Mass419.26449
SMILESCCN(CC)C(=O)N1CCN(CCCc2nc3c(c(=O)n(C)c(=O)n3C)n2C)CC1
InChIInChI=1S/C20H33N7O3/c1-6-26(7-2)20(30)27-13-11-25(12-14-27)10-8-9-15-21-17-16(22(15)3)18(28)24(5)19(29)23(17)4/h6-14H2,1-5H3
InChIKeyPKXWXHGLEXOSQK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
stacofylline (CHEBI:752700) is a oxopurine (CHEBI:25810)
INNs  Source
estacofilinaWHO MedNet
stacofyllineWHO MedNet
Synonym  Source
S-9977ChEMBL