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1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarboxamide

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1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarboxamide Basic information
Product Name:1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarboxamide
Synonyms:Citalopram Related Compound A (25 mg) (1-(3-(dimethylamino)propyl)-1-(4'-fluorophenyl)-1,3-dihydroisobenzofuran-5-carboxamide);CitalopraM EP IMpurity A;CitalopraM Related CoMpound A;1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carboxamide;(S)-1-[3-Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3- dihydro-5-isobenzofuran-carbonitrile oxalate (ESCITALOPRAM OXALAT;Citalopram Impurity 3(Citalopram EP Impurity A);Escitalopram EP Impurity A;Citalopram EP Imp A
CAS:64372-56-1
MF:C20H23FN2O2
MW:342.41
EINECS:
Product Categories:Neurochemicals,Pharmaceuticals, Intermediates & Fine Chemicals
Mol File:64372-56-1.mol
1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarboxamide Structure
1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarboxamide Chemical Properties
Melting point 126-128℃ (ethanol )
Boiling point 444.5±45.0 °C(Predicted)
density 1.183±0.06 g/cm3(Predicted)
storage temp. -20°C Freezer
solubility Chloroform (Slightly), Methanol (Slightly)
pka16.06±0.40(Predicted)
color White to Off-White
Major Applicationpharmaceutical
InChI1S/C20H23FN2O2/c1-23(2)11-3-10-20(16-5-7-17(21)8-6-16)18-9-4-14(19(22)24)12-15(18)13-25-20/h4-9,12H,3,10-11,13H2,1-2H3,(H2,22,24)
InChIKeyLYYWQJNKWCANAC-UHFFFAOYSA-N
SMILESFc1ccc(cc1)C2(OCc3c2ccc(c3)C(=O)N)CCCN(C)C
Safety Information
WGK Germany WGK 3
HS Code 2932996560
Storage Class11 - Combustible Solids
Hazard ClassificationsAcute Tox. 4 Oral
Aquatic Chronic 3
Repr. 2
STOT SE 3
MSDS Information
1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarboxamide Usage And Synthesis
Uses1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarboxamide, is an impurity of Citalopram (C505000), which is an inhibitor of serotonin (5-HT) uptake. It is used as an antidepressant.
Uses1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarboxamide (Escitalopram EP Impurity A), is an impurity of Citalopram (C505000), which is an inhibitor of serotonin (5-HT) uptake. It is used as an antidepressant.
1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarboxamide Preparation Products And Raw materials
Tag:1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarboxamide(64372-56-1) Related Product Information
Citalopram hydrobromide CitalopraM DiMethylaMinobutanone 5-BroModescyano CitalopraM 5-chloro-1-(3-diMethylaMinopropyl)-1-(4-fluorophenyl)-phthalan CitalopraM Carboxaldehyde CITALOPRAM RELATED COMPOUND F (200 MG) (DIMETHYL-(1-METHYL-3,3-DIPHENYL-ALLYL)-AMINE HYDROCHLORIDE) Citalopram N-Oxide 3-Hydroxy CitalopraM (R)-Citalopram Oxalate 4-(4-(dimethylamino)-1-hydroxy-1-phenylbutyl)-3-hydroxymethyl) benzonitrile hydrochloride Escitalopram Impurity 3-Oxo Citalopram 1,3-dihydro-1-oxoisobenzofuran-5-carboxamide Escitalopram oxalate Citalopram (+/-)-4-[4-(diMethylaMino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxyMethyl)-benzonitrile, oxalate 4-(bis(4-fluorophenyl)(hydroxy)Methyl) -3-(hydroxyMethyl)benzonitrile 4-(4-fluorobenzoyl)-3-(hydroxyMethyl)benzonitrile