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CHEBI:78418 - (S)-oxamniquine

ChEBI IDCHEBI:78418
ChEBI Name(S)-oxamniquine
Stars
ASCII Name(S)-oxamniquine
DefinitionA {2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl}methanol that has S configuration.
Last Modified2 May 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC14H21N3O3
Net Charge0
Average Mass279.340
Monoisotopic Mass279.15829
SMILESCC(C)NC[C@@H]1CCc2cc(CO)c([N+](=O)[O-])cc2N1
InChIInChI=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
InChIKeyXCGYUJZMCCFSRP-LBPRGKRZSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
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-quinolinemethanolChEBI
Citations