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11-Fluoro desloratadine

CAT: 0024-sc-499155Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-499155Size:1 mg
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CAS Number
298220-99-2

Chemical Information

Fluorodesloratadine
CAS Number298220-99-2
PubChem CID9818913
IUPAC Name13-chloro-2-fluoro-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
Molecular FormulaC19H20ClFN2
Molecular Weight330.8
XLogP3.8
Topological Polar Surface Area24.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity414
SMILES
C1CNCCC1C2(C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)F
InChI
InChI=1S/C19H20ClFN2/c20-16-5-6-17-14(12-16)4-3-13-2-1-9-23-18(13)19(17,21)15-7-10-22-11-8-15/h1-2,5-6,9,12,15,22H,3-4,7-8,10-11H2
InChIKey
UTRNCHWURQHTSN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fluorodesloratadine
CAS: 298220-99-2
CID: 9818913
Formula: C19H20ClFN2
MW: 330.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.8
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass330.1299045
Monoisotopic Mass330.1299045
Topological Polar Surface Area24.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity414
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

CatalogName
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sc-500407Desloratadine-d5
sc-2103285-Hydroxy Desloratadine
sc-500440Desloratadine-d5 Hydrochloride
sc-2095933-Hydroxy Desloratadine
sc-212222N-Methyl Desloratadine
sc-500425Desloratadine Citric Amide

Alternative Products

CatalogName
IF46257-0111-Fluoro desloratadine
AR-L07739-01Desloratadine EP Impurity A DiHCl (11-Fluoro Desloratadine DiHCl)
AR-L07719-01Desloratadine Impurity 11
AR-L07737-01N-Nitroso Desloratadine EP Impurity A (N-Nitroso 11-Fluoro
AR-L01901-0111-Hydroxy Dihydro Desloratadine
RM-D121815-01Desloratadine 11-Hydroxy Impurity
AR-L07734-01Desloratadine Dehydro 11-Oxo Impurity
AR-L07705-01Desloratadine 8-Bromo-11-Oxo Impurity
AR-L07708-01Desloratadine Dehydro 11-Hydroxy N-Methyl Impurity
RM-D121811-01Desloratadine 8-Bromo-11-Hydroxy-N-Methyl Impurity

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