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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:dotarizine
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Accession:CHEBI:138033 term browser browse the term
Definition:An N-alkylpiperazine in which the two amino hydrogens of piperazine have been replaced by diphenylmethyl and 3-(2-phenyl-1,3-dioxolan-2-yl)propyl groups. A calcium channel blocker and serotonin (5-HT2) receptor antagonist used in the treatment of migraine.
Synonyms:exact_synonym: 1-(Diphenylmethyl)-4-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]piperazine
 related_synonym: 1-(Diphenylmethyl)-4-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]piperazin;   FI-6026;   Formula=C29H34N2O2;   InChI=1S/C29H34N2O2/c1-4-11-25(12-5-1)28(26-13-6-2-7-14-26)31-21-19-30(20-22-31)18-10-17-29(32-23-24-33-29)27-15-8-3-9-16-27/h1-9,11-16,28H,10,17-24H2;   InChIKey=LRMJAFKKJLRDLE-UHFFFAOYSA-N;   SMILES=C1CN(CCN1CCCC2(OCCO2)C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5;   dotarizina;   dotarizinum
 xref: CAS:84625-59-2;   Chemspider:49929;   PMID:10082213;   PMID:10347616;   PMID:10483512;   PMID:10516641;   PMID:10592122;   PMID:10672335;   PMID:10763515;   PMID:10785251;   PMID:10940353;   PMID:11140170;   PMID:11164387;   PMID:14637173;   PMID:16153637;   PMID:21125446;   PMID:7881736;   PMID:7892769;   PMID:8153146;   PMID:8748852;   PMID:8981299;   PMID:9053586;   PMID:9112089;   PMID:9286620;   PMID:9379783;   PMID:9416324;   PMID:9658668;   PMID:9757621;   Patent:EP97340;   Patent:US4883797;   Reaxys:6879159;   Wikipedia:Dotarizine

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  CHEBI ontology 0
    role 0
      biological role 0
        pharmacological role 0
          antagonist 0
            calcium channel blocker 0
              dotarizine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    main group molecular entity 0
                      s-block molecular entity 0
                        hydrogen molecular entity 0
                          hydrides 0
                            inorganic hydride 0
                              pnictogen hydride 0
                                nitrogen hydride 0
                                  azane 0
                                    ammonia 0
                                      organic amino compound 0
                                        tertiary amino compound 0
                                          N-alkylpiperazine 0
                                            dotarizine 0
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