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ChEBI
> Main
CHEBI:82816 -
ent
-diltiazem(1+)
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ChEBI Name
ent
-diltiazem(1+)
ChEBI ID
CHEBI:82816
ChEBI ASCII Name
ent-diltiazem(1+)
Definition
An ammonium ion resulting from the protonation of the nitrogen of the dimethylaminoethyl substituent of
ent
-diltiazem. The major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C22H27N2O4S
Net Charge
+1
Average Mass
415.52500
Monoisotopic Mass
415.16860
InChI
InChI=1S/C22H26N2O4S/c1-
15(25)
28-
20-
21(16-
9-
11-
17(27-
4)
12-
10-
16)
29-
19-
8-
6-
5-
7-
18(19)
24(22(20)
26)
14-
13-
23(2)
3/h5-
12,20-
21H,13-
14H2,1-
4H3/p+1/t20-
,21+/m0/s1
InChIKey
HSUGRBWQSSZJOP-LEWJYISDSA-O
SMILES
COc1ccc(cc1)[C@H]1Sc2ccccc2N(CC[NH+](C)C)C(=O)[C@H]1OC(C)=O
Roles Classification
Biological Role
(s):
potassium channel blocker
An agent that inhibits cell membrane glycoproteins that are selectively permeable to potassium ions.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
ent
-diltiazem(1+) (
CHEBI:82816
)
has role
potassium channel blocker (
CHEBI:50509
)
ent
-diltiazem(1+) (
CHEBI:82816
)
is a
ammonium ion derivative (
CHEBI:35274
)
ent
-diltiazem(1+) (
CHEBI:82816
)
is conjugate acid of
ent
-diltiazem (
CHEBI:82813
)
ent
-diltiazem(1+) (
CHEBI:82816
)
is enantiomer of
diltiazem(1+) (
CHEBI:82812
)
Incoming
ent
-diltiazem hydrochloride (
CHEBI:82817
)
has part
ent
-diltiazem(1+) (
CHEBI:82816
)
ent
-diltiazem (
CHEBI:82813
)
is conjugate base of
ent
-diltiazem(1+) (
CHEBI:82816
)
diltiazem(1+) (
CHEBI:82812
)
is enantiomer of
ent
-diltiazem(1+) (
CHEBI:82816
)
IUPAC Name
2-
[(2
R
,3
R
)-
3-
acetoxy-
2-
(4-
methoxyphenyl)-
4-
oxo-
3,4-
dihydro-
1,5-
benzothiazepin-
5(2
H
)-
yl]-
N
,
N
-
dimethylethanaminium
Last Modified
29 August 2014