AG00C392

Name: Cetirizine ethyl ester
Brand: Angene Chemical
SKU: AG00C392

246870-46-2 | Cetirizine ethyl ester

AG00C392

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CAS Number	246870-46-2
Catalog Number	AG00C392(AGN-PC-0WOZM3)
Chemical Name	Cetirizine ethyl ester
IUPAC Name	ethyl 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetate
InChI	InChI=1S/C23H29ClN2O3/c1-2-29-22(27)18-28-17-16-25-12-14-26(15-13-25)23(19-6-4-3-5-7-19)20-8-10-21(24)11-9-20/h3-11,23H,2,12-18H2,1H3
InChI Key	ASHQTVRYHSZGQY-UHFFFAOYSA-N
MDL Number	MFCD21496651
Molecular Formula	C23H29ClN2O3
Molecular Weight	416.9410
SMILES	CCOC(=O)COCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3
Synonyms	246870-46-2, ASHQTVRYHSZGQY-UHFFFAOYSA-N, Cetirizine Ethyl Ester, AGN-PC-0CEFEN, ACE086, SCHEMBL12288127, DTXSID20431731, Cetirizine Ethyl Ester (USP RC A), ethyl [2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]acetate, Acetic acid, 2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-, ethyl ester, Cetirizine USP Related Compound A, CID9844843, Ethyl 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl], Ethyl 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]acetate,

Complexity	471
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	416.187g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	416.946g/mol
Monoisotopic Mass	416.187g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	42A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	4.7

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