CHEBI:31978 - Perazine dimalonate

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ChEBI Name Perazine dimalonate ChEBI ID CHEBI:31978 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 Formulae C20H25N3S.2C3H4O4 C26H33N3O8S Net Charge 0 Average Mass 547.623 Monoisotopic Mass 547.19884 InChI InChI=1S/C20H25N3S.2C3H4O4/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23;2*4-2(5)1-3(6)7/h2-5,7-10H,6,11-16H2,1H3;2*1H2,(H,4,5)(H,6,7) InChIKey LXOKLRDDOBCJJT-UHFFFAOYSA-N SMILES N1(C2=C(SC=3C=CC=CC13)C=CC=C2)CCCN4CCN(CC4)C.OC(CC(O)=O)=O.OC(CC(O)=O)=O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing Perazine dimalonate (CHEBI:31978) is a dicarboxylic acid (CHEBI:35692) Synonym Source Perazine dimalonate KEGG COMPOUND Manual Xref Database D01860 KEGG DRUG View more database links Registry Number Type Source 14777-25-4 CAS Registry Number KEGG COMPOUND Last Modified 06 March 2017