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CHEBI:135709 - exatecan

ChEBI IDCHEBI:135709
ChEBI Nameexatecan
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC24H22FN3O4
Net Charge0
Average Mass435.455
Monoisotopic Mass435.15943
SMILESCC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](N)CC3
InChIInChI=1S/C24H22FN3O4/c1-3-24(31)14-6-18-21-12(8-28(18)22(29)13(14)9-32-23(24)30)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19/h6-7,16,31H,3-5,8-9,26H2,1-2H3/t16-,24-/m0/s1
InChIKeyZVYVPGLRVWUPMP-FYSMJZIKSA-N
ChEBI Ontology
Outgoing Relation(s)
exatecan (CHEBI:135709) is a pyranoindolizinoquinoline (CHEBI:48626)
Synonyms  Source
exatecan mesylateDrugCentral
DX 8951DrugCentral
DX-8951fDrugCentral
exatecan hydrochlorideDrugCentral
DX-8951aDrugCentral
Manual XrefsDatabases
1120DrugCentral
Registry NumbersSources
CAS:171335-80-1DrugCentral