Citalopram EP Impurity G

CAT: 1596-AR-C05632-01Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C05632-01Size:25 Units

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CAS Number

1329745-98-3

Synonyms

4- (Dimethylamino) -1-[ (1RS) -1-[3- (dimethylamino) propyl]-1- (4-fluorophenyl) -1,3-dihydro-2- benzofuran-5-yl]butan-1-one (as per EP)

Molecular Formula

C25H33FN2O2

Molecular Weight

412.5

API Name

Citalopram

Chemical Information

5-Dimethylaminobutyryl citalopram

CAS Number	1329745-98-3
PubChem CID	56643874
IUPAC Name	4-(dimethylamino)-1-[1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-yl]butan-1-one
Molecular Formula	C25H33FN2O2
Molecular Weight	412.5
XLogP	3.5
Topological Polar Surface Area	32.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Heavy Atom Count	30
Formal Charge	0
Complexity	547

SMILES

CN(C)CCCC(=O)C1=CC2=C(C=C1)C(OC2)(CCCN(C)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C25H33FN2O2/c1-27(2)15-5-7-24(29)19-8-13-23-20(17-19)18-30-25(23,14-6-16-28(3)4)21-9-11-22(26)12-10-21/h8-13,17H,5-7,14-16,18H2,1-4H3

InChIKey

AQRPROCETRZTEF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1329745-98-3

CID: 56643874

Formula: C25H33FN2O2

MW: 412.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	412.5
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Exact Mass	412.25260646
Monoisotopic Mass	412.25260646
Topological Polar Surface Area	32.8 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	547
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-C02988-01	Citalopram EP Impurity A HCl
AR-C05344-01	Citalopram EP Impurity E
AR-C04026-01	Citalopram EP Impurity D
AR-C04059-01	Citalopram EP Impurity C (3-Oxo Citalopram)
AR-C02991-01	Citalopram EP Impurity F HCl
AR-C04029-01	Citalopram EP Impurity F HBr
AR-C02990-01	Citalopram EP Impurity E HCl
AR-C04028-01	Citalopram EP Impurity E HBr
AR-C05363-01	Citalopram EP Impurity D HCl
AR-C07740-01	Citalopram EP Impurity A HCl (Citalopram USP Related Compound A HCl, Escitalopram EP Impurity A HCl)