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CHEBI:31978 - Perazine dimalonate

Default Structure
ChEBI IDCHEBI:31978
ChEBI NamePerazine dimalonate
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC20H25N3S.2C3H4O4
Net Charge0
Average Mass547.630
Monoisotopic Mass547.19884
SMILESCN1CCN(CCCN2c3ccccc3Sc3ccccc32)CC1.O=C(O)CC(=O)O.O=C(O)CC(=O)O
InChIInChI=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)
InChIKeyLXOKLRDDOBCJJT-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Perazine dimalonate (CHEBI:31978) is a dicarboxylic acid (CHEBI:35692)
Synonym  Source
Perazine dimalonateKEGG COMPOUND
Manual XrefsDatabases
D01860KEGG DRUG
Registry NumbersSources
CAS:14777-25-4KEGG COMPOUND