1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-3-oxo-1,3-dihydroisobenzofuran-5-carbonitrile oxalate

Catalog No. :
ACJKEP539
CAS No. :
1440961-11-4
Molecular Formula :
C22H21FN2O6
Molecular Weight :
428.42

IUPAC Name:1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-3-oxo-1,3-dihydroisobenzofuran-5-carbonitrile oxalate

1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-3-oxo-1,3-dihydroisobenzofuran-5-carbonitrile oxalate structure diagram
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Product Information

Product Name1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-3-oxo-1,3-dihydroisobenzofuran-5-carbonitrile oxalate
IUPAC Name1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-3-oxo-1,3-dihydroisobenzofuran-5-carbonitrile oxalate
Molecular FormulaC22H21FN2O6
Molecular Weight428.42
SMILESCN(C)CCCC1(C2=CC=C(F)C=C2)OC(=O)C2=C1C=CC(C#N)=C2.O=C(O)C(=O)O
InChI KeyOOOSHXRAOKIVNG-UHFFFAOYSA-N
SynonymCitalopram impurity 9/Citalopram EP Impurity C Oxalate Salt/3-Oxo Citalopram Oxalate Salt/Citalopram Related Compound C Oxalate Salt/3-(3-Dimethylaminopropyl)-3-(4-fluorophenyl)-6-cyano-1(3H)-isobenzofuranone oxalate;Citalopram EP Impurity C Oxalate;(3RS)-6-Cyano-3-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)isobenzofuran-1(3H)-one Oxalate;Citalopram Hydrobromide Impurity C as Oxalate;Citalopram Related Compound C as Oxalate;Citalopram Hydrobromide EP Impurity C as Oxalate;Citalopram USP Related Compound C as Oxalate;Escitalopram Oxalate EP Impurity C as Oxalate
CAS No.1440961-11-4

Synthetic Route by SureRoute

1. ACJKEP539 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  2. Then
  3. ACJKEP539 route product structure diagram
    ACJKEP5391440961-11-4
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2. ACJKEP539 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  2. Plus
  3. reactant_2 route compound structure diagram
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  4. Then
  5. ACJKEP539 route product structure diagram
    ACJKEP5391440961-11-4
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