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ChEBI
> Main
CHEBI:78418 - (
S
)-oxamniquine
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ChEBI Name
(
S
)-oxamniquine
ChEBI ID
CHEBI:78418
ChEBI ASCII Name
(S)-oxamniquine
Definition
A {2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl}methanol that has
S
configuration.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C14H21N3O3
Net Charge
0
Average Mass
279.33480
Monoisotopic Mass
279.15829
InChI
InChI=1S/C14H21N3O3/c1-
9(2)
15-
7-
12-
4-
3-
10-
5-
11(8-
18)
14(17(19)
20)
6-
13(10)
16-
12/h5-
6,9,12,15-
16,18H,3-
4,7-
8H2,1-
2H3/t12-
/m0/s1
InChIKey
XCGYUJZMCCFSRP-LBPRGKRZSA-N
SMILES
CC(C)NC[C@@H]1CCc2cc(CO)c(cc2N1)[N+]([O-])=O
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(
S
)-oxamniquine (
CHEBI:78418
)
is a
{2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl}methanol (
CHEBI:78416
)
(
S
)-oxamniquine (
CHEBI:78418
)
is enantiomer of
(
R
)-oxamniquine (
CHEBI:78417
)
Incoming
oxamniquine (
CHEBI:7819
)
has part
(
S
)-oxamniquine (
CHEBI:78418
)
(
R
)-oxamniquine (
CHEBI:78417
)
is enantiomer of
(
S
)-oxamniquine (
CHEBI:78418
)
IUPAC Name
{(2
S
)-2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl}methanol
Synonym
Source
(2
S
)-1,2,3,4-tetrahydro-2-{[(1-methylethyl)amino]methyl}-7-nitro-6-quinolinemethanol
ChEBI
Citations
Types
Sources
2083150
PubMed citation
Europe PMC
2490562
PubMed citation
Europe PMC
7767464
PubMed citation
Europe PMC
Last Modified
02 May 2014