CHEBI:78416 - {2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl}methanol

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ChEBI Name {2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl}methanol
ChEBI ID CHEBI:78416
Definition A member of the class of quinolines that is 1,2,3,4-tetrahydroquinoline which is substituted at positions 2, 6, and 7 by (isopropylamino)methyl, hydroxymethyl, and nitro groups, respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C14H21N3O3
Net Charge 0
Average Mass 279.33480
Monoisotopic Mass 279.158
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
InChIKey XCGYUJZMCCFSRP-UHFFFAOYSA-N
SMILES CC(C)NCC1CCc2cc(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 {2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl}methanol (CHEBI:78416) is a C-nitro compound (CHEBI:35716)
{2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl}methanol (CHEBI:78416) is a aromatic primary alcohol (CHEBI:33857)
{2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl}methanol (CHEBI:78416) is a quinolines (CHEBI:26513)
{2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl}methanol (CHEBI:78416) is a secondary amino compound (CHEBI:50995)
Incoming (R)-oxamniquine (CHEBI:78417) is a {2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl}methanol (CHEBI:78416)
(S)-oxamniquine (CHEBI:78418) is a {2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl}methanol (CHEBI:78416)
IUPAC Name
{2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl}methanol
Manual Xrefs Databases
C07341 KEGG COMPOUND
D00460 KEGG DRUG
LSM-6378 LINCS
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Registry Number Type Source
21738-42-1 CAS Registry Number KEGG COMPOUND
Last Modified
25 February 2016
General Comment
2014-05-02 This is the entry for material with unspecified stereochemistry. There are separate entries for the individual enantiomers ((R)- and (S)-oxamniquine) and for the racemate (oxamniquine).