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ChEBI
> Main
CHEBI:167632 - JTE-607(2+)
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ChEBI Name
JTE-607(2+)
ChEBI ID
CHEBI:167632
Definition
An organic cation obtained by protonation of the two tertiary amino groups of JTE-607 free base.
Stars
This entity has been manually annotated by the ChEBI Team.
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No supplier information found for this compound.
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Formula
C25H33Cl2N3O5
Net Charge
+2
Average Mass
526.450
Monoisotopic Mass
525.17863
InChI
InChI=1S/C25H31Cl2N3O5/c1-
3-
34-
25(33)
20(15-
17-
7-
5-
4-
6-
8-
17)
28-
24(32)
18-
16-
19(26)
23(21(27)
22(18)
31)
35-
14-
13-
30-
11-
9-
29(2)
10-
12-
30/h4-
8,16,20,31H,3,9-
15H2,1-
2H3,(H,28,32)
/p+2/t20-
/m0/s1
InChIKey
IPSSXIMJJXSJQB-FQEVSTJZSA-P
SMILES
CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1=CC(Cl)=C(OCC[NH+]2CC[NH+](C)CC2)C(Cl)=C1O
ChEBI Ontology
Outgoing
JTE-607(2+) (
CHEBI:167632
)
is a
ammonium ion derivative (
CHEBI:35274
)
JTE-607(2+) (
CHEBI:167632
)
is a
organic cation (
CHEBI:25697
)
JTE-607(2+) (
CHEBI:167632
)
is conjugate acid of
JTE-607 free base (
CHEBI:167630
)
Incoming
JTE-607 dihydrochloride (
CHEBI:167629
)
has part
JTE-607(2+) (
CHEBI:167632
)
JTE-607 free base (
CHEBI:167630
)
is conjugate base of
JTE-607(2+) (
CHEBI:167632
)
IUPAC Name
ethyl
N
-
{3,5-
dichloro-
2-
hydroxy-
4-
[2-
(4-
methylpiperazinediium-
1-
yl)ethoxy]benzoyl}-
L
-
phenylalaninate
Synonyms
Sources
1-
[2-
(2,6-
dichloro-
4-
{[(2
S
)-
1-
ethoxy-
1-
oxo-
3-
phenylpropan-
2-
yl]carbamoyl}-
3-
hydroxyphenoxy)ethyl]-
4-
methylpiperazinediium
IUPAC
JTE-607 dication
ChEBI
Last Modified
10 March 2021