Responsive image

Common name


Levocetirizine

IUPAC name


2-(2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid

SMILES


OC(=O)COCCN1CCN(CC1)[C@H](C1=CC=CC=C1)C1=CC=C(Cl)C=C1

Compound class


Respiratory System; Antihistamines for Systemic Use; Piperazine Derivatives; CYP3A4 Inhibitors;

Therapeutic area


Levocetirizine is indicated for the relief of symptoms associated with allergic rhinitis (seasonal and perennial) in adults and children 6 years of age and older.

Common name


Levocetirizine

IUPAC name


2-(2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid

SMILES


OC(=O)COCCN1CCN(CC1)[C@H](C1=CC=CC=C1)C1=CC=C(Cl)C=C1

INCHI


InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/t21-/m1/s1

FORMULA


C21H25ClN2O3

Responsive image

Common name


Levocetirizine

IUPAC name


2-(2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid

Molecular weight


388.888

clogP


3.353

clogS


-4.258

HBond Acceptor


5

HBond Donor


1

Total Polar
Surface Area


53.01

Number of Rings


3

Rotatable Bond


8

Drug ID Common name Structure CAS SMILE Frequency
FDBF00004 acetic acid Responsive image CC(=O)O 0.0687
FDBF00041 ethanol Responsive image CCO 0.1474
FDBF00758 2-methoxyacetic acid Responsive image COCC(=O)O 0.0007
FDBF00764 2-ethoxyacetic acid Responsive image CCOCC(=O)O 0.0007
22 , 3