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CHEBI:180973 - Citalopram Oxalate

Default Structure
ChEBI IDCHEBI:180973
ChEBI NameCitalopram Oxalate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H21FN2O.C2H2O4
Net Charge0
Average Mass414.433
Monoisotopic Mass414.15910
SMILESCN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21.O=C(O)C(=O)O
InChIInChI=1S/C20H21FN2O.C2H2O4/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;3-1(4)2(5)6/h4-9,12H,3,10-11,14H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyKTGRHKOEFSJQNS-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Citalopram Oxalate (CHEBI:180973) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
1-[3-(dimethylamino)propyl]-1-(4-luorophenyl)-3H-2-benzouran-5-carbonitrile;oxalic acid
Manual XrefsDatabases
10616991ChemSpider
Registry NumbersSources
CAS:207559-01-1ChemIDplus