Escitalopram EP Impurity I

CAT: 1596-AR-C05329-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C05329-01Size:10 Units

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CAS Number

1370643-22-3

API Name

Citalopram

Chemical Information

Escitalopram EP Impurity I

CAS Number	1370643-22-3
PubChem CID	11472790
IUPAC Name	4-[(Z)-4-(dimethylamino)-1-(4-fluorophenyl)but-1-enyl]-3-(hydroxymethyl)benzonitrile
Molecular Formula	C20H21FN2O
Molecular Weight	324.4
XLogP	3.7
Topological Polar Surface Area	47.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	24
Formal Charge	0
Complexity	460

SMILES

CN(C)CC/C=C(/C1=CC=C(C=C1)F)\C2=C(C=C(C=C2)C#N)CO

InChI

InChI=1S/C20H21FN2O/c1-23(2)11-3-4-19(16-6-8-18(21)9-7-16)20-10-5-15(13-22)12-17(20)14-24/h4-10,12,24H,3,11,14H2,1-2H3/b19-4-

InChIKey

IAICSOQOSARWDY-PVOVUMCXSA-N

Chemical Structure

2D Structure

CAS: 1370643-22-3

CID: 11472790

Formula: C20H21FN2O

MW: 324.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	324.4
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	324.16379146
Monoisotopic Mass	324.16379146
Topological Polar Surface Area	47.3 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	460
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-C02995-01	Escitalopram EP Impurity L
AR-C05328-01	Escitalopram EP Impurity F
AR-C05598-01	N-Nitroso Escitalopram EP Impurity D (Racemic)
AR-C07740-01	Citalopram EP Impurity A HCl (Citalopram USP Related Compound A HCl, Escitalopram EP Impurity A HCl)
AR-C02974-01	Escitalopram Impurity C
AR-C07742-01	Escitalopram Acid Impurity
AR-E08927-01	Escitalopram Butyryl Impurity
AR-J01063-01	Josamycin EP Impurity I
AR-I01588-01	Iodixanol EP Impurity I
AR-I01527-01	Indomethacin EP Impurity I