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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:cilnidipine
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Accession:CHEBI:31399 term browser browse the term
Definition:A diesterified 1,4-dihydropyridine-3,5-dicarboxylic acid. A calcium channel blocker, it is used as an antihypertensive.
Synonyms:exact_synonym: 2-methoxyethyl (2E)-3-phenylprop-2-en-1-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
 related_synonym: (+-)-(E)-cinnamyl 2-methoxyethyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate;   Formula=C27H28N2O7;   InChI=1S/C27H28N2O7/c1-18-23(26(30)35-14-8-11-20-9-5-4-6-10-20)25(21-12-7-13-22(17-21)29(32)33)24(19(2)28-18)27(31)36-16-15-34-3/h4-13,17,25,28H,14-16H2,1-3H3/b11-8+;   InChIKey=KJEBULYHNRNJTE-DHZHZOJOSA-N;   SMILES=COCCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC\\C=C\\c1ccccc1
 alt_id: CHEBI:551341
 xref: CAS:132203-70-4;   Drug_Central:642;   KEGG:D01173
 xref_mesh: MESH:C065927
 xref: Patent:EP161877;   Patent:US4672068;   Wikipedia:Cilnidipine


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 5066
    role 5030
      application 869
        solvent 282
          2-methoxyethanol 0
            2-methoxyethyl ester 0
              cilnidipine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5066
    subatomic particle 5057
      composite particle 5057
        hadron 5057
          baryon 5057
            nucleon 5057
              atomic nucleus 5057
                atom 5057
                  main group element atom 5026
                    p-block element atom 5023
                      chalcogen 4928
                        oxygen atom 4896
                          oxygen molecular entity 4896
                            hydroxides 4848
                              organic hydroxy compound 4780
                                polyol 4320
                                  diol 5
                                    glycol 3
                                      glycol ether 0
                                        2-methoxyethanol 0
                                          2-methoxyethyl ester 0
                                            cilnidipine 0
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