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Citalopram EP Impurity E

CAT: 1596-AR-C05344-02Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C05344-02Size:100 Units
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CAS Number
64169-45-5
Synonyms
3-[5-chloro-1- (4-fluorophenyl) -3H-2-benzofuran-1-yl]-N, N-dimethylpropan-1-amine; 1-Isobenzofuranpropanamine, 5-chloro-1- (4-fluorophenyl) -1,3-dihydro-N, N-dimethyl-; (+/-) -1- (4-Fluorophenyl) -1- (3-dimethylaminopropyl) -5-chlorophthalane; Citalopram USP Related Compound G
Molecular Formula
C19H21ClFNO
Molecular Weight
333.828
API Name
Citalopram

Chemical Information

1-(4-Fluorophenyl)-1-(3-dimethylaminopropyl)-5-chlorophthalane
CAS Number64169-45-5
PubChem CID10088219
IUPAC Name3-[5-chloro-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
Molecular FormulaC19H21ClFNO
Molecular Weight333.8
XLogP4.1
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity386
SMILES
CN(C)CCCC1(C2=C(CO1)C=C(C=C2)Cl)C3=CC=C(C=C3)F
InChI
InChI=1S/C19H21ClFNO/c1-22(2)11-3-10-19(15-4-7-17(21)8-5-15)18-9-6-16(20)12-14(18)13-23-19/h4-9,12H,3,10-11,13H2,1-2H3
InChIKey
COAPWBUTTSOWLG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Fluorophenyl)-1-(3-dimethylaminopropyl)-5-chlorophthalane
CAS: 64169-45-5
CID: 10088219
Formula: C19H21ClFNO
MW: 333.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.8
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass333.1295701
Monoisotopic Mass333.1295701
Topological Polar Surface Area12.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity386
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

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AR-C04026-01Citalopram EP Impurity D
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AR-C04029-01Citalopram EP Impurity F HBr
AR-C02991-01Citalopram EP Impurity F HCl
AR-C07739-01Citalopram EP Impurity G Dioxalate
AR-C05363-01Citalopram EP Impurity D HCl
AR-C07740-01Citalopram EP Impurity A HCl (Citalopram USP Related Compound A HCl, Escitalopram EP Impurity A HCl)
AR-C07734-01Citalopram EP Impurity C HCl (3-Oxo Citalopram HCl)

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