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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:nimodipine
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Accession:CHEBI:7575 term browser browse the term
Definition:A dihydropyridine that is 1,4-dihydropyridine which is substituted by methyl groups at positions 2 and 6, a (2-methoxyethoxy)carbonyl group at position 3, a m-nitrophenyl group at position 4, and an isopropoxycarbonyl group at position 5. An L-type calcium channel blocker, it acts particularly on cerebral circulation, and is used both orally and intravenously for the prevention and treatment of subarachnoid hemorrhage from ruptured intracranial aneurysm.
Synonyms:exact_synonym: 2-methoxyethyl propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
 related_synonym: 2,6-dimethyl-4-(3'-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-beta-methoxyethyl ester 5-isopropyl ester;   BAY e 9736;   Formula=C21H26N2O7;   InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3;   InChIKey=UIAGMCDKSXEBJQ-UHFFFAOYSA-N;   Nimotop;   Periplum;   SMILES=COCCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C;   isopropyl 2-methoxyethyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate;   isopropyl 2-methoxyethyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate;   nimodipino;   nimodipinum
 xref: CAS:66085-59-4;   DrugBank:DB00393;   Drug_Central:1937;   KEGG:C07267;   KEGG:D00438;   LINCS:LSM-1659
 xref_mesh: MESH:D009553
 xref: PMID:12137606;   PMID:16180362;   PMID:17110283;   PMID:21869451;   PMID:22262041;   PMID:22300914;   PMID:8519001;   Patent:DE2117571;   Patent:US3799934;   Reaxys:459792;   Wikipedia:Nimodipine


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  CHEBI ontology 0
    role 0
      application 0
        solvent 0
          2-methoxyethanol 0
            2-methoxyethyl ester 0
              nimodipine 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
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                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
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                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      monocarboxylic acid 0
                                        fatty acid 0
                                          fatty acid derivative 0
                                            fatty alcohol 0
                                              secondary fatty alcohol 0
                                                propan-2-ol 0
                                                  isopropyl ester 0
                                                    nimodipine 0
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