EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:32100 - Rilmazafone hydrochloride

Default Structure
ChEBI IDCHEBI:32100
ChEBI NameRilmazafone hydrochloride
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC21H20Cl2N6O3.2H2O.HCl
Net Charge0
Average Mass547.827
Monoisotopic Mass546.09520
SMILESCN(C)C(=O)c1nc(CNC(=O)CN)n(-c2ccc(Cl)cc2C(=O)c2ccccc2Cl)n1.Cl.O.O
InChIInChI=1S/C21H20Cl2N6O3.ClH.2H2O/c1-28(2)21(32)20-26-17(11-25-18(30)10-24)29(27-20)16-8-7-12(22)9-14(16)19(31)13-5-3-4-6-15(13)23;;;/h3-9H,10-11,24H2,1-2H3,(H,25,30);1H;2*1H2
InChIKeyUWTWLIQPJSLNEN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Rilmazafone hydrochloride (CHEBI:32100) is a benzophenones (CHEBI:22726)
Synonyms  Source
5-[(2-aminoacetyl)aminomethyl]-1-[4-chloro-2-(2-chlorobenzoyl)-phenyl]-N,N-dimethyl-1H-1,2,4-triazole-3-carboxamide dihydrate hydrochlorideKEGG COMPOUND
Rhythmy (TN)KEGG COMPOUND
Rilmazafone hydrochlorideKEGG COMPOUND
Manual XrefsDatabases
D01564KEGG DRUG
Registry NumbersSources
CAS:85815-37-8KEGG COMPOUND