Loratadine Ketone Impurity

CAT: 1596-AR-L06106-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-L06106-01Size:10 Units

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CAS Number

130642-50-1

Synonyms

[3-[2- (3-Chlorophenyl) ethyl]-2-pyridinyl] (1-methyl-4-piperidinyl) methanone; Desloratadine Ketone Impurity

Molecular Formula

C20H23ClN2O

Molecular Weight

342.9

API Name

Loratadine

Chemical Information

Loratadine ketone

CAS Number	130642-50-1
PubChem CID	9967913
IUPAC Name	[3-[2-(3-chlorophenyl)ethyl]-2-pyridinyl]-(1-methylpiperidin-4-yl)methanone
Molecular Formula	C20H23ClN2O
Molecular Weight	342.9
XLogP	4.2
Topological Polar Surface Area	33.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	24
Formal Charge	0
Complexity	408

SMILES

CN1CCC(CC1)C(=O)C2=C(C=CC=N2)CCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H23ClN2O/c1-23-12-9-17(10-13-23)20(24)19-16(5-3-11-22-19)8-7-15-4-2-6-18(21)14-15/h2-6,11,14,17H,7-10,12-13H2,1H3

InChIKey

YBWTYYOASANXND-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 130642-50-1

CID: 9967913

Formula: C20H23ClN2O

MW: 342.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	342.9
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	342.1498911
Monoisotopic Mass	342.1498911
Topological Polar Surface Area	33.2 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	408
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-L01886-01	Loratadine EP Impurity E (Iso Loratadine)
AR-L01869-01	Loratadine Impurity E
AR-L01896-01	Loratadine Impurity 3
AR-L07726-01	Loratadine Impurity 31
AR-L07725-01	Loratadine Impurity 30
AR-L07748-01	Loratadine Impurity 34
AR-L07724-01	Loratadine Impurity 29
AR-L07703-01	Loratadine Impurity 50
AR-L07698-01	Loratadine Impurity 45
AR-P12921-01	Loratadine EP Impurity A

Catalog	Name
423502-01	[3-[2- (3-Chlorophenyl) ethyl]-2-pyridinyl] (1-methyl-4-piperidinyl) methanone (Loratadine Ketone Impurity)
TRC-C375225-25MG	[3-[2-(3-Chlorophenyl)ethyl]-2-pyridinyl](1-methyl-4-piperidinyl)methanone (Loratadine Ketone Impurity)
RM-L182070-01	Loratadine Impurity 70
RM-L182069-01	Loratadine Impurity 69
RM-L182057-01	Loratadine Impurity 57
RM-L182092-01	Loratadine Impurity 92
RM-L182083-01	Loratadine Impurity 83
RM-L182085-01	Loratadine Impurity 85
RM-L182047-01	Loratadine Impurity 47
RM-L182049-01	Loratadine Impurity 49