Metabolite didemethylcitalopram
- Name
- didemethylcitalopram
- Description
- Not Available
- Structure
Structure for didemethylcitalopram
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 296.345
Monoisotopic: 296.132491338 - Chemical Formula
- C18H17FN2O
- InChI Key
- RKUKMUWCRLRPEJ-UHFFFAOYSA-N
- InChI
- InChI=1S/C18H17FN2O/c19-16-5-3-15(4-6-16)18(8-1-9-20)17-7-2-13(11-21)10-14(17)12-22-18/h2-7,10H,1,8-9,12,20H2
- IUPAC Name
- 1-(3-aminopropyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
- SMILES
- NCCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Human Metabolome Database
- HMDB0060472
- KEGG Compound
- C16609
- ChemSpider
- 143072
- ChEBI
- 80604
- ChEMBL
- CHEMBL3544716
- Predicted Properties
Property Value Source logP 2.95 Chemaxon pKa (Strongest Basic) 10.2 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 59.04 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 83.95 m3·mol-1 Chemaxon Polarizability 31.3 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon