CHEBI:170000 - dilazep(2+)

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ChEBI Name dilazep(2+)
ChEBI ID CHEBI:170000
Definition A tertiary ammonium ion that is the conjugate acid of dilazep resulting from the protonation of the two amino groups of the diazepane moiety.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C31H46N2O10
Net Charge +2
Average Mass 606.712
Monoisotopic Mass 606.31415
InChI InChI=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
InChIKey QVZCXCJXTMIDME-UHFFFAOYSA-P
SMILES COC1=CC(=CC(OC)=C1OC)C(=O)OCCC[NH+]1CCC[NH+](CCCOC(=O)C2=CC(OC)=C(OC)C(OC)=C2)CC1
ChEBI Ontology
Outgoing dilazep(2+) (CHEBI:170000) is a tertiary ammonium ion (CHEBI:137982)
dilazep(2+) (CHEBI:170000) is conjugate acid of dilazep (CHEBI:92842)
Incoming 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 Sources
1,4-bis{3-[(3,4,5-trimethoxybenzoyl)oxy]propyl}-1,4-diazepane-1,4-diium IUPAC
dilazep dication ChEBI
Last Modified
22 April 2021