structure of Cetirizine Impurity B dihydrochloride

Cetirizine Impurity B dihydrochloride

CAS No.: 1000690-91-4
M. Wt: 417.76
M. Fa: C19H23Cl3N2O2
InChI Key: LSPZEDLYSAUAQV-UHFFFAOYSA-N

Names and Identifiers of Cetirizine Impurity B dihydrochloride

CAS Number

1000690-91-4

EC Number

849-600-1

IUPAC Name

2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]acetic acid;dihydrochloride

InChI

InChI=1S/C19H21ClN2O2.2ClH/c20-17-8-6-16(7-9-17)19(15-4-2-1-3-5-15)22-12-10-21(11-13-22)14-18(23)24;;/h1-9,19H,10-14H2,(H,23,24);2*1H

InChIKey

LSPZEDLYSAUAQV-UHFFFAOYSA-N

Canonical SMILES

C1CN(CCN1CC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl.Cl

Physical and chemical properties of Cetirizine Impurity B dihydrochloride

Melting Point

>168°C (dec.)

Molecular Formula

C19H23Cl3N2O2

Molecular Weight

417.76

Solubility

DMSO (Slightly), Methanol (Slightly), Water (Slightly)

Storage condition

Hygroscopic, -20°C Freezer, Under inert atmosphere

Safety Information of Cetirizine Impurity B dihydrochloride

Pictograms

Signal Word

 Warning

Safety Data Sheet
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