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ChEBI
> Main
CHEBI:170000 - dilazep(2+)
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ChEBI Ontology
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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.
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This entity has been manually annotated by the ChEBI Team.
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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