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loading...| Preferred Name |
Apaziquone |
| Synonyms |
5-(aziridin-1-yl)-3-(hydroxymethyl)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylindole-4,7-dione |
| ID |
http://purl.obolibrary.org/obo/CHEBI_177558 |
| charge |
0 |
| database_cross_reference |
CAS:114560-48-4 Chemspider:4710342 KEGG:D02965 DrugBank:DB12593 |
| formula |
C15H16N2O4 |
| has_exact_synonym |
5-(aziridin-1-yl)-3-(hydroxymethyl)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylindole-4,7-dione |
| has_obo_namespace |
chebi_ontology |
| id |
CHEBI:177558 |
| in_subset | |
| inchi |
InChI=1S/C15H16N2O4/c1-16-10(3-2-6-18)9(8-19)13-14(16)12(20)7-11(15(13)21)17-4-5-17/h2-3,7,18-19H,4-6,8H2,1H3/b3-2+ |
| inchikey |
MXPOCMVWFLDDLZ-NSCUHMNNSA-N |
| label |
Apaziquone |
| mass |
288.303 |
| monoisotopicmass |
288.11101 |
| notation |
CHEBI:177558 |
| prefLabel |
Apaziquone |
| smiles |
O=C1C(N2CC2)=CC(=O)C=3N(C(=C(C31)CO)/C=C/CO)C |
| treeView | |
| subClassOf |