CHEBI:81295 - Metabutethamine

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ChEBI Name Metabutethamine ChEBI ID CHEBI:81295 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 C13H20N2O2 Net Charge 0 Average Mass 236.31010 Monoisotopic Mass 236.15248 InChI InChI=1S/C13H20N2O2/c1-10(2)9-15-6-7-17-13(16)11-4-3-5-12(14)8-11/h3-5,8,10,15H,6-7,9,14H2,1-2H3 InChIKey BXMFKNRZTLNAFY-UHFFFAOYSA-N SMILES CC(C)CNCCOC(=O)c1cccc(N)c1 ChEBI Ontology Outgoing Metabutethamine (CHEBI:81295) is a benzoate ester (CHEBI:36054) Synonym Source metabuthamine DrugCentral Manual Xrefs Databases 4658 DrugCentral C17723 KEGG COMPOUND View more database links Registry Number Type Source 4439-25-2 CAS Registry Number KEGG COMPOUND Last Modified 22 February 2017