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CHEBI:170000 - dilazep(2+)

ChEBI IDCHEBI:170000
ChEBI Namedilazep(2+)
Stars
DefinitionA tertiary ammonium ion that is the conjugate acid of dilazep resulting from the protonation of the two amino groups of the diazepane moiety.
Last Modified22 April 2021
SubmitterAdnan
DownloadsMolfile
FormulaC31H46N2O10
Net Charge+2
Average Mass606.713
Monoisotopic Mass606.31415
SMILESCOc1cc(C(=O)OCCC[NH+]2CCC[NH+](CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC
InChIInChI=1S/C31H44N2O10/c1-36-24-18-22(19-25(37-2)28(24)40-5)30(34)42-16-8-12-32-10-7-11-33(15-14-32)13-9-17-43-31(35)23-20-26(38-3)29(41-6)27(21-23)39-4/h18-21H,7-17H2,1-6H3/p+2
InChIKeyQVZCXCJXTMIDME-UHFFFAOYSA-P
ChEBI Ontology
Outgoing Relation(s)
dilazep(2+) (CHEBI:170000) is a tertiary ammonium ion (CHEBI:137982)
dilazep(2+) (CHEBI:170000) is conjugate acid of dilazep (CHEBI:92842)
Incoming Relation(s)
dilazep dihydrochloride (CHEBI:31493) has part dilazep(2+) (CHEBI:170000)
dilazep (CHEBI:92842) is conjugate base of dilazep(2+) (CHEBI:170000)
IUPAC Name 
1,4-bis{3-[(3,4,5-trimethoxybenzoyl)oxy]propyl}-1,4-diazepanediium
Synonyms  Source
1,4-bis{3-[(3,4,5-trimethoxybenzoyl)oxy]propyl}-1,4-diazepane-1,4-diiumIUPAC
dilazep dicationChEBI