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ChEBI
> Main
CHEBI:61170 - metoclopramide(1+)
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ChEBI Name
metoclopramide(1+)
ChEBI ID
CHEBI:61170
Definition
An ammonium ion obtained by protonation of the tertiary amino group of metoclopramide.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C14H23ClN3O2
Net Charge
+1
Average Mass
300.80400
Monoisotopic Mass
300.14733
InChI
InChI=1S/C14H22ClN3O2/c1-
4-
18(5-
2)
7-
6-
17-
14(19)
10-
8-
11(15)
12(16)
9-
13(10)
20-
3/h8-
9H,4-
7,16H2,1-
3H3,(H,17,19)
/p+1
InChIKey
TTWJBBZEZQICBI-UHFFFAOYSA-O
SMILES
CC[NH+](CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
ChEBI Ontology
Outgoing
metoclopramide(1+) (
CHEBI:61170
)
is a
ammonium ion derivative (
CHEBI:35274
)
metoclopramide(1+) (
CHEBI:61170
)
is conjugate acid of
metoclopramide (
CHEBI:107736
)
metoclopramide(1+) (
CHEBI:61170
)
is conjugate base of
metoclopramide(2+) (
CHEBI:61172
)
Incoming
metoclopramide hydrochloride (
CHEBI:6899
)
has part
metoclopramide(1+) (
CHEBI:61170
)
metoclopramide(2+) (
CHEBI:61172
)
is conjugate acid of
metoclopramide(1+) (
CHEBI:61170
)
metoclopramide (
CHEBI:107736
)
is conjugate base of
metoclopramide(1+) (
CHEBI:61170
)
IUPAC Name
2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-
N
,
N
-diethylethanaminium
Last Modified
25 July 2011