AG00ADX3

Name: Desloratadine N-Carboxylic Acid Methyl Ester
Brand: Angene Chemical
SKU: AG00ADX3

165740-03-4 | Desloratadine N-Carboxylic Acid Methyl Ester

AG00ADX3

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CAS Number	165740-03-4
Catalog Number	AG00ADX3(AGN-PC-0Q8S6Y)
Chemical Name	Desloratadine N-Carboxylic Acid Methyl Ester
IUPAC Name	methyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate
InChI	InChI=1S/C21H21ClN2O2/c1-26-21(25)24-11-8-14(9-12-24)19-18-7-6-17(22)13-16(18)5-4-15-3-2-10-23-20(15)19/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3
InChI Key	XTGUGVYFFYZHSJ-UHFFFAOYSA-N
MDL Number	MFCD31563022
Molecular Formula	C21H21ClN2O2
Molecular Weight	368.8566
SMILES	COC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1
Synonyms	CHEMBL3357032, Desloratadine N-Carboxylic Acid Methyl Ester, 165740-03-4, SCHEMBL13872050, METHYL ANALOGUE OF LORATADINE, BDBM50031256, XTGUGVYFFYZHSJ-UHFFFAOYSA-N,

Complexity	554
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	368.129g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	368.861g/mol
Monoisotopic Mass	368.129g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.8

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited