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N-Trifluoroacetodesmethylcitalopram , CAS No.1076199-46-6
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Basic Description
Synonyms | 1076199-46-6 | N-Trifluoroacetodesmethylcitalopram | rac-N-Trifluoroacetodesmethyl Citalopram | N-[3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propyl]-2,2,2-trifluoro-N-methylacetamide | N-[3-[5-Cyano-1-(4-fluorophenyl)-1,3-dihydro-1-isobenzofuranyl]propyl |
Storage Temp | Store at -20°C |
Shipped In | Ice chest + Ice pads |
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Names and Identifiers
IUPAC Name | N-[3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propyl]-2,2,2-trifluoro-N-methylacetamide |
INCHI | InChI=1S/C21H18F4N2O2/c1-27(19(28)21(23,24)25)10-2-9-20(16-4-6-17(22)7-5-16)18-8-3-14(12-26)11-15(18)13-29-20/h3-8,11H,2,9-10,13H2,1H3 |
InChi Key | AIVUSJIHPDCSPS-UHFFFAOYSA-N |
Canonical SMILES | CN(CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F)C(=O)C(F)(F)F |
Isomeric SMILES | CN(CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F)C(=O)C(F)(F)F |
PubChem CID | 45040614 |
Molecular Weight | 406.37 |
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Chemical and Physical Properties
Solubility | Soluble in Acetone, Dichloromethane and Ethyl Acetate |
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