skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

organic aromatic compound > quinolines > /{2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl/}methanol > (s)-oxamniquine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > quinolines > /{2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl/}methanol > (s)-oxamniquine
organic heterocyclic compound > organonitrogen heterocyclic compound > quinolines > /{2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl/}methanol > (s)-oxamniquine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > c-nitro compound > /{2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl/}methanol > (s)-oxamniquine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > c-nitro compound > /{2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl/}methanol > (s)-oxamniquine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > secondary amino compound > /{2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl/}methanol > (s)-oxamniquine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > secondary amino compound > /{2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl/}methanol > (s)-oxamniquine

Preferred term

(s)-oxamniquine  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C14H21N3O3

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

is_enantiomer_of

mass

  • 279.33480

monoisotopicmass

  • 279.15829

smiles

  • CC(C)NC[C@@H]1CCc2cc(CO)c(cc2N1)[N+]([O-])=O

subset

  • 3_STAR

synonym EXACT

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

synonym RELATED

  • (2S)-1,2,3,4-tetrahydro-2-{[(1-methylethyl)amino]methyl}-7-nitro-6-quinolinemethanol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:78418

Download this concept:

RDF/XML TURTLE JSON-LD