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AG00AD5L

Name: 4-chloro-loratadine
Brand: Angene Chemical
SKU: AG00AD5L

165739-83-3 | 4-chloro-loratadine

Chemical structure of 4-chloro-loratadine, CAS 165739-83-3

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CAS Number	165739-83-3
Catalog Number	AG00AD5L(AGN-PC-0Q8S00)
Chemical Name	4-chloro-loratadine
IUPAC Name	ethyl 4-(7,13-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-2-ylidene)piperidine-1-carboxylate
InChI	InChI=1S/C22H22Cl2N2O2/c1-2-28-22(27)26-11-8-14(9-12-26)20-17-6-4-16(23)13-15(17)3-5-18-19(24)7-10-25-21(18)20/h4,6-7,10,13H,2-3,5,8-9,11-12H2,1H3
InChI Key	LOTMYBFPXGPIDD-UHFFFAOYSA-N
MDL Number	MFCD27977841
Molecular Formula	C22H22Cl2N2O2
Molecular Weight	417.3283
SMILES	ClC1=CC(CCC2=C/3N=CC=C2Cl)=C(C=C1)C3=C4CCN(C(OCC)=O)CC4
UNII	K330Z55R0Q
Synonyms	4-Chloro Loratadine, 4-Chloroloratadine, 165739-83-3, UNII-K330Z55R0Q, K330Z55R0Q, Ethyl 4-(4,8-dichloro-5,6-dihydro-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)piperidine-1-carboxylate, Ethyl 4-(4,8-Dichloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylate, Loratadine specified impurity C [EP], Loratadine EP Impurity C, SCHEMBL5473193, DTXSID60168019, ZINC67665168, 1-Piperidinecarboxylic acid, 4-(4,8-dichloro-5,6-dihydro-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-, ethyl ester, Loratadine impurity, 4,8-dichloro-6,11-dihydro-11-(N-ethoxy carbonyl-4-piperidylidene)-5H-benzo(5,6)cyclohepta(1,2-b)pyridine- [USP], FT-0664729, LORATADINE EP IMPURITY C ( USP RC G ), 4-(4,8-Dichloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylic Acid Ethyl Ester, ethyl 4-(4,8-dichloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidine-1-carboxylate,

Complexity	601
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	416.106g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	417.33g/mol
Monoisotopic Mass	416.106g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.8

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited