CHEBI:135709 - exatecan

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name exatecan
ChEBI ID CHEBI:135709
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H22FN3O4
Net Charge 0
Average Mass 435.448
Monoisotopic Mass 435.15943
InChI InChI=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
InChIKey ZVYVPGLRVWUPMP-FYSMJZIKSA-N
SMILES N[C@@H]1C2=C3C(C=4N(C3)C(=O)C5=C(C4)[C@](CC)(O)C(OC5)=O)=NC=6C2=C(CC1)C(=C(C6)F)C
ChEBI Ontology
Outgoing exatecan (CHEBI:135709) is a pyranoindolizinoquinoline (CHEBI:48626)
Synonyms Sources
DX 8951 DrugCentral
DX-8951a DrugCentral
DX-8951f DrugCentral
exatecan hydrochloride DrugCentral
exatecan mesylate DrugCentral
Manual Xref Database
1120 DrugCentral
View more database links
Registry Number Type Source
171335-80-1 CAS Registry Number DrugCentral
Last Modified
23 February 2017