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CHEBI:39440 - BRACO-19

ChEBI IDCHEBI:39440
ChEBI NameBRACO-19
Stars
Last Modified24 January 2008
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC35H43N7O2.3HCl
Net Charge0
Average Mass703.159
Monoisotopic Mass701.27786
SMILESCN(C)c1ccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3cc(NC(=O)CCN4CCCC4)ccc23)cc1.[H]Cl.[H]Cl.[H]Cl
InChIInChI=1S/C35H43N7O2.3ClH/c1-40(2)28-11-7-25(8-12-28)38-35-29-13-9-26(36-33(43)15-21-41-17-3-4-18-41)23-31(29)39-32-24-27(10-14-30(32)35)37-34(44)16-22-42-19-5-6-20-42;;;/h7-14,23-24H,3-6,15-22H2,1-2H3,(H,36,43)(H,37,44)(H,38,39);3*1H
InChIKeyMJAPNWJRLLDPAB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
BRACO-19 (CHEBI:39440) has part N,N'-(9-{[4-(dimethylamino)phenyl]amino}acridine-3,6-diyl)bis(3-pyrrolidin-1-ylpropanamide) (CHEBI:33534)
BRACO-19 (CHEBI:39440) is a hydrochloride (CHEBI:36807)
IUPAC Name 
N,N'-(9-{[4-(dimethylamino)phenyl]amino}acridine-3,6-diyl)bis(3-pyrrolidin-1-ylpropanamide) trihydrochloride
Synonym  Source
BRACO19ChEBI
Registry NumbersSources
Beilstein:10514111Beilstein