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ChEBI
> Main
CHEBI:88201 - benazepril(1+)
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ChEBI Name
benazepril(1+)
ChEBI ID
CHEBI:88201
Definition
An ammonium ion resulting from the protonation of the secondary amino group of benazepril.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C24H29N2O5
Net Charge
+1
Average Mass
425.498
Monoisotopic Mass
425.20710
InChI
InChI=1S/C24H28N2O5/c1-
2-
31-
24(30)
20(14-
12-
17-
8-
4-
3-
5-
9-
17)
25-
19-
15-
13-
18-
10-
6-
7-
11-
21(18)
26(23(19)
29)
16-
22(27)
28/h3-
11,19-
20,25H,2,12-
16H2,1H3,(H,27,28)
/p+1/t19-
,20-
/m0/s1
InChIKey
XPCFTKFZXHTYIP-PMACEKPBSA-O
SMILES
C1C=2C(N(C([C@](C1)([NH2+][C@H](C(=O)OCC)CCC3=CC=CC=C3)[H])=O)CC(O)=O)=CC=CC2
ChEBI Ontology
Outgoing
benazepril(1+) (
CHEBI:88201
)
is a
ammonium ion derivative (
CHEBI:35274
)
benazepril(1+) (
CHEBI:88201
)
is conjugate acid of
benazepril (
CHEBI:3011
)
Incoming
benazepril hydrochloride (
CHEBI:3012
)
has part
benazepril(1+) (
CHEBI:88201
)
benazepril (
CHEBI:3011
)
is conjugate base of
benazepril(1+) (
CHEBI:88201
)
IUPAC Name
(3
S
)-
1-
(carboxymethyl)-
N
-
[(2
S
)-
1-
ethoxy-
1-
oxo-
4-
phenylbutan-
2-
yl]-
2-
oxo-
2,3,4,5-
tetrahydro-
1
H
-
1-
benzazepin-
3-
aminium
Last Modified
13 October 2015