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ONTOLOGY REPORT - ANNOTATIONS


Term:metoclopramide dihydrochloride monohydrate
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Accession:CHEBI:60906 term browser browse the term
Definition:A hydrate that is the monohydrate form of metoclopramide dihydrochloride.
Synonyms:exact_synonym: 2-chloro-4-{[2-(diethylammonio)ethyl]carbamoyl}-5-methoxyanilinium dichloride--water (1/1);   4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide dihydrochloride--water (1/1)
 related_synonym: 2-methoxy-4-amino-5-chloro-N-(beta-(diethylamino)ethyl)benzamide dihydrochloride monohydrate;   4-amino-5-chloro-N-(2-(diethylamino)ethyl)-o-anisamide dihydrochloride monohydrate;   Emetid;   Formula=C14H26Cl3N3O3;   Gastronerton;   InChI=1S/C14H22ClN3O2.2ClH.H2O/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3;;;/h8-9H,4-7,16H2,1-3H3,(H,17,19);2*1H;1H2;   InChIKey=IRQVJPHZDYMXNW-UHFFFAOYSA-N;   Primperan;   SMILES=O.[Cl-].[Cl-].CC[NH+](CC)CCNC(=O)c1cc(Cl)c([NH3+])cc1OC
 xref: CAS:5581-45-3 "ChemIDplus";   CAS:5581-45-3 "KEGG DRUG";   DrugBank:DB01233;   KEGG:D02213;   Reaxys:6672858 "Reaxys"


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  CHEBI ontology 19679
    role 19623
      chemical role 19139
        greenhouse gas 9812
          water 607
            hydrate 588
              metoclopramide dihydrochloride monohydrate 0
Path 2
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  CHEBI ontology 19679
    subatomic particle 19675
      composite particle 19675
        hadron 19675
          baryon 19675
            nucleon 19675
              atomic nucleus 19675
                atom 19675
                  main group element atom 19555
                    p-block element atom 19555
                      halogen 17747
                        chlorine atom 17484
                          chlorine molecular entity 17484
                            elemental chlorine 8353
                              monoatomic chlorine 8334
                                chloride 8334
                                  chloride salt 8334
                                    organic chloride salt 580
                                      hydrochloride 349
                                        metoclopramide hydrochloride 0
                                          metoclopramide dihydrochloride monohydrate 0
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