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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Definition:An N-alkylpiperazine in which the two amino hydrogens of piperazine have been replaced by diphenylmethyl and 3-(2-phenyl-1,3-dioxolan-2-yl)propyl groups.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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Path 1
Term Annotations click to browse term
  CHEBI ontology 19810
    role 19758
      application 19420
        pharmaceutical 19293
          drug 19293
            cardiovascular drug 7618
              vasodilator agent 5733
                dotarizine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19810
    subatomic particle 19808
      composite particle 19808
        hadron 19808
          baryon 19808
            nucleon 19808
              atomic nucleus 19808
                atom 19808
                  main group element atom 19696
                    main group molecular entity 19696
                      s-block molecular entity 19456
                        hydrogen molecular entity 19447
                          hydrides 18703
                            inorganic hydride 17433
                              pnictogen hydride 17405
                                nitrogen hydride 17247
                                  azane 16964
                                    ammonia 16963
                                      organic amino compound 16962
                                        tertiary amino compound 8638
                                          N-alkylpiperazine 3080
                                            dotarizine 0
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