CHEBI:78418 - (S)-oxamniquine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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.
Supplier Information
Download Molfile XML SDF
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 (Bronsted 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
{(2S)-2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl}methanol
Synonym Source
(2S)-1,2,3,4-tetrahydro-2-{[(1-methylethyl)amino]methyl}-7-nitro-6-quinolinemethanol ChEBI
Citations Waiting for Citations Types Sources
2083150 PubMed citation Europe PMC
2490562 PubMed citation Europe PMC
7767464 PubMed citation Europe PMC
Last Modified
02 May 2014