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11-Fluoro desloratadine - 97%, high purity , CAS No.298220-99-2

COA

Grade & Purity:

≥97%

Cas Number: 298220-99-2
Molecular Weight: 330.83
PubChem CID: 9818913
PubChem SID: 504764906

In stock

Item Number

F357906

Grouped product items
SKU	Size	Availability	Price
F357906-1mg	1mg	3	$205.90
F357906-5mg	5mg	3	$686.90
F357906-10mg	10mg	3	$1,235.90
F357906-25mg	25mg	7	$2,746.90

Basic Description

Synonyms	8-Chloro-11-fluoro-6,11-dihydro-11-(4-piperidinyl)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine; (11RS)-8-chloro-11-fluoro-11-(piperidin-4-yl)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine; Desloratadine Imp. A (EP); Desloratadine Impurity A \| 8-Chloro-11
Specifications & Purity	≥97%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	application： 11-Fluoro Desloratadine (Desloratadine EP Impurity A) is a fluorine substituted benzocycloheptapyridine derivative with antihistaminic activity.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzocycloheptapyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzocycloheptapyridines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzocycloheptapyridines
Alternative Parents	Aralkylamines Pyridines and derivatives Piperidines Benzenoids Aryl chlorides Heteroaromatic compounds Dialkylamines Azacyclic compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzocycloheptapyridine - Aralkylamine - Aryl chloride - Aryl halide - Piperidine - Pyridine - Benzenoid - Heteroaromatic compound - Secondary aliphatic amine - Secondary amine - Azacycle - Amine - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzocycloheptapyridines. These are aromatic compounds containing a benzene ring and a pyridine ring fused to a seven membered carbocycle.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504764906
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504764906
IUPAC Name	13-chloro-2-fluoro-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
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
Smiles	C1CNCCC1C2(C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)F
Isomeric SMILES	C1CNCCC1C2(C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)F
Molecular Weight	330.83
Reaxy-Rn	24297996
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24297996&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
F2302882	Certificate of Analysis	Apr 15, 2023	F357906
F2302876	Certificate of Analysis	Apr 15, 2023	F357906
F2302879	Certificate of Analysis	Apr 15, 2023	F357906
F2302880	Certificate of Analysis	Apr 15, 2023	F357906
F2302878	Certificate of Analysis	Apr 15, 2023	F357906
F2302881	Certificate of Analysis	Apr 15, 2023	F357906
F2302877	Certificate of Analysis	Apr 15, 2023	F357906
F2302875	Certificate of Analysis	Apr 15, 2023	F357906

Chemical and Physical Properties

Solubility	DMSO (Slightly), Methanol (Slightly)
Melt Point(°C)	>192° C (dec.)
Molecular Weight	330.800 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	330.13 Da
Monoisotopic Mass	330.13 Da
Topological Polar Surface Area	24.900 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	414.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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