CHEBI:31867 - mosapride citrate dihydrate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name mosapride citrate dihydrate
ChEBI ID CHEBI:31867
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H37ClFN3O12
Net Charge 0
Average Mass 650.048
Monoisotopic Mass 649.20498
InChI InChI=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
InChIKey KVKIQHMTGSGTFO-UHFFFAOYSA-N
SMILES O.O.OC(=O)CC(O)(CC(O)=O)C(O)=O.CCOC1=CC(N)=C(Cl)C=C1C(=O)NCC1CN(CC2=CC=C(F)C=C2)CCO1
ChEBI Ontology
Outgoing mosapride citrate dihydrate (CHEBI:31867) is a hydrate (CHEBI:35505)
Synonyms Sources
AS 4370 KEGG COMPOUND
Gasmotin (TN) KEGG COMPOUND
mosapride citrate hydrate KEGG DRUG
Manual Xrefs Databases
C13494 KEGG COMPOUND
D01994 KEGG DRUG
View more database links
Registry Number Type Source
636582-62-2 CAS Registry Number ChemIDplus
Last Modified
19 January 2021