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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:(2S,3S)-nemonapride
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Accession:CHEBI:64218 term browser browse the term
Definition:An optically active form of nemonapride having (2S,3S)-configuration.
Synonyms:exact_synonym: N-[(2S,3S)-1-benzyl-2-methylpyrrolidin-3-yl]-5-chloro-2-methoxy-4-(methylamino)benzamide
 related_synonym: (-)-nemonapride;   (2S,3S)-emonapride;   (2S-cis)-5-chloro-2-methoxy-4-(methylamino)-N-[2-methyl-1-(phenylmethyl)-3-pyrrolidinyl]benzamide;   5-chloro-2-methoxy-4-(methylamino)-N-[(2S,3S)-2-methyl-1-(phenylmethyl)-3-pyrrolidinyl]benzamide;   Formula=C21H26ClN3O2;   InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)/t14-,18-/m0/s1;   InChIKey=KRVOJOCLBAAKSJ-KSSFIOAISA-N;   SMILES=CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C
 xref: Chemspider:8127831;   LINCS:LSM-37183;   Reaxys:8008139
 cyclic_relationship: is_enantiomer_of CHEBI:64219


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19844
    role 19820
      application 19663
        NMR chemical shift reference compound 18004
          ammonia 17797
            organic amino compound 17822
              secondary amino compound 6837
                N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide 2
                  (2S,3S)-nemonapride 0
                    nemonapride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19844
    subatomic particle 19842
      composite particle 19842
        hadron 19842
          baryon 19842
            nucleon 19809
              atomic nucleus 19842
                atom 19842
                  main group element atom 19792
                    p-block element atom 19792
                      carbon group element atom 19738
                        carbon atom 19734
                          organic molecular entity 19734
                            heteroorganic entity 19486
                              organochalcogen compound 19249
                                organooxygen compound 19167
                                  carbon oxoacid 18634
                                    carboxylic acid 18631
                                      carboacyl group 17703
                                        univalent carboacyl group 17703
                                          carbamoyl group 17554
                                            carboxamide 17554
                                              monocarboxylic acid amide 15685
                                                arenecarboxamide 8255
                                                  benzamides 8255
                                                    N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide 2
                                                      (2S,3S)-nemonapride 0
                                                        nemonapride 0
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