CHEBI:111410 - 6-chloro-3-[2-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-2-oxoethyl]-7-hydroxy-4-methyl-1-benzopyran-2-one

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 6-chloro-3-[2-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-2-oxoethyl]-7-hydroxy-4-methyl-1-benzopyran-2-one ChEBI ID CHEBI:111410 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H23ClN2O7 Net Charge 0 Average Mass 498.913 Monoisotopic Mass 498.11938 InChI InChI=1S/C25H23ClN2O7/c1-14-15-10-17(26)18(29)12-21(15)35-25(32)16(14)11-23(30)27-6-8-28(9-7-27)24(31)22-13-33-19-4-2-3-5-20(19)34-22/h2-5,10,12,22,29H,6-9,11,13H2,1H3 InChIKey YCOAROPTJJWRMT-UHFFFAOYSA-N SMILES CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CC(=O)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4 ChEBI Ontology Outgoing 6-chloro-3-[2-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-2-oxoethyl]-7-hydroxy-4-methyl-1-benzopyran-2-one (CHEBI:111410) is a hydroxycoumarin (CHEBI:37912) Manual Xref Database LSM-22866 LINCS View more database links