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CHEBI:80606 - Citalopram alcohol

Default Structure
ChEBI IDCHEBI:80606
ChEBI NameCitalopram alcohol
Stars
DownloadsMolfile
FormulaC19H18FNO2
Net Charge0
Average Mass311.356
Monoisotopic Mass311.13216
SMILESN#Cc1ccc2c(c1)COC2(CCCCO)c1ccc(F)cc1
InChIInChI=1S/C19H18FNO2/c20-17-6-4-16(5-7-17)19(9-1-2-10-22)18-8-3-14(12-21)11-15(18)13-23-19/h3-8,11,22H,1-2,9-10,13H2
InChIKeyPWOQCUKWOSNQHT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Citalopram alcohol (CHEBI:80606) is a benzenes (CHEBI:22712)
Citalopram alcohol (CHEBI:80606) is a nitrile (CHEBI:18379)
Manual XrefsDatabases
C16611KEGG COMPOUND