ChemicalBook--->CAS DataBase List--->1232460-31-9

1232460-31-9

1232460-31-9 Structure

1232460-31-9 Structure
IdentificationBack Directory
[Name]

Cetirizine 3-Chloro Impurity
[CAS]

1232460-31-9
[Synonyms]

Acetic acid, 2-[2-[4-[(3-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-
[Molecular Formula]

C21H25ClN2O3
[MOL File]

1232460-31-9.mol
[Molecular Weight]

388.89
Chemical PropertiesBack Directory
[Boiling point ]

535.1±45.0 °C(Predicted)
[density ]

1.237±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[pka]

3.46±0.10(Predicted)
[InChI]

InChI=1S/C21H25ClN2O3/c22-19-8-4-7-18(15-19)21(17-5-2-1-3-6-17)24-11-9-23(10-12-24)13-14-27-16-20(25)26/h1-8,15,21H,9-14,16H2,(H,25,26)
[InChIKey]

KIDBOSZFDKRHNX-UHFFFAOYSA-N
[SMILES]

C(C1C=CC=CC=1)(N1CCN(CCOCC(=O)O)CC1)C1C=CC=C(Cl)C=1
Hazard InformationBack Directory
[Uses]

Cetirizine 3-chloro impurity is an impurity of Cetirizine 3-chloro[1].
[storage]

Store at -20°C
[References]

[1] Gosar, Amit, et al. Development and validation of new RP-HPLC method for analysis of potencial genotoxic impurities of cetirizine dihydrochloride. World Journal of Pharmaceutical Research (2018), 7(18), 1209-1222.
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