Cas no 62498-67-3 (Desmethylcitalopram)

Desmethylcitalopram structure
Desmethylcitalopram structure
Product Name:Desmethylcitalopram
CAS No:62498-67-3
MF:C19H19FN2O
MW:310.365368127823
CID:827330
PubChem ID:162180
Update Time:2025-04-19

Desmethylcitalopram Chemical and Physical Properties

Names and Identifiers

    • Demethylcitalopram hydrochloride
    • rac Demethyl Citalopram Discontinued See: D230846
    • 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile
    • Desmethylcitalopram
    • RAC DEMETHYL CITALOPRAM DISCONTINUED SEE: D230846,OFF-WHITE SOLID
    • MONODESMETHYLCITALOPRAM
    • rac Demethyl Citalopram
    • 1-(4-fluorophenyl)-1,3-dihydro-1-[3-(methylamino)propyl]-5-isobenzofurancarbonitrile
    • Demethylcitalopram
    • EINECS 263-573-8
    • 62498-67-3
    • LU 11-109
    • CHEMBL1649
    • DB-345287
    • UNII-3KBX9104IR
    • DB-225693
    • 1-[3-(methylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
    • 5-ISOBENZOFURANCARBONITRILE, 1-(4-FLUOROPHENYL)-1,3-DIHYDRO-1-(3-(METHYLAMINO)PROPYL)-
    • (R)-(-)-Desmethyl citalopram
    • CHEBI:80603
    • 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-2-benzofuran-5-carbonitrile
    • Desmethyl Citalopram
    • RAC-DESMETHYLCITALOPRAM
    • (1RS)-1-(4-Fluorophenyl)-1-[3-(methylamino)propyl]-1,3-dihydroisobenzofuran-5-carbonitrile Hydrochloride (Desmethylcitalopram Hydrochloride)
    • N-Desmethylcitalopram
    • Norcitalopram
    • Discontinued See: D230846
    • CITALOPRAM HYDROBROMIDE IMPURITY D [EP IMPURITY]
    • CAS_144025-14-9
    • Q5264610
    • DB-225665
    • BDBM85219
    • (RS/S)-1-[3-(methylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile
    • DTXSID90881082
    • 1-(3-Methylaminopropyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile
    • SCHEMBL2738827
    • NS00006900
    • (+/-)-N-DEMETHYLCITALOPRAM
    • 3KBX9104IR
    • 1-(4-fluorophenyl)-1-(3-methylaminopropyl)-1,3-dihydroisobenzofuran-5-carbonitrile
    • 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-1,3- dihydro-2-benzofuran-5-carbonitrile
    • CITALOPRAM HYDROCHLORIDE IMPURITY D [EP IMPURITY]
    • 1-(4-FLUOROPHENYL)-1,3-DIHYDRO-1-[3-(METHYLAMINO)PROPYL]ISOBENZOFURAN-5-CARBONITRILE
    • DEMETHYL-CITALOPRAM
    • 1-(4-Fluorophenyl)-1,3-dihydro-1-(3-(methylamino)propyl)isobenzofuran-5-carbonitrile
    • 1-(4-fluorophenyl)-1-(3-(methylamino)propyl)-1,3-dihydroisobenzofuran-5-carbonitrile
    • Inchi： 1S/C19H19FN2O/c1-22-10-2-9-19(16-4-6-17(20)7-5-16)18-8-3-14(12-21)11-15(18)13-23-19/h3-8,11,22H,2,9-10,13H2,1H3
    • InChI Key： PTJADDMMFYXMMG-UHFFFAOYSA-N
    • SMILES： FC1C=CC(=CC=1)C1(C2C=CC(C#N)=CC=2CO1)CCCNC

Computed Properties

  • Exact Mass: 310.14800
  • Monoisotopic Mass: 310.14814140g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 5
  • Complexity: 440
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 45?2

Experimental Properties

  • PSA: 45.05000
  • LogP: 3.86168

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