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CHEBI:31867 - mosapride citrate dihydrate

ChEBI IDCHEBI:31867
ChEBI Namemosapride citrate dihydrate
Stars
Last Modified19 January 2021
DownloadsMolfile
FormulaC21H25ClFN3O3.C6H8O7.2H2O
Net Charge0
Average Mass650.053
Monoisotopic Mass649.20498
SMILESCCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1.O.O.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C21H25ClFN3O3.C6H8O7.2H2O/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14;7-3(8)1-6(13,5(11)12)2-4(9)10;;/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H2
InChIKeyKVKIQHMTGSGTFO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
mosapride citrate dihydrate (CHEBI:31867) is a hydrate (CHEBI:35505)
Synonyms  Source
mosapride citrate hydrateKEGG DRUG
AS 4370KEGG COMPOUND
Gasmotin (TN)KEGG COMPOUND
Manual XrefsDatabases
C13494KEGG COMPOUND
D01994KEGG DRUG
Registry NumbersSources
CAS:636582-62-2ChemIDplus