LEVOCETIRIZINE

CAS Number: 130018-77-8

Molecular Formula: C21H25ClN2O3

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About LEVOCETIRIZINE

Levocetirizine (CAS 130018-77-8) serves as a critical component in the global API intermediates market, primarily utilized for the production of high-efficacy antihistamines targeting allergic rhinitis and chronic urticaria. As a leading bulk chemical supplier, we recognize that CDMOs are increasingly demanding high-pu...

LEVOCETIRIZINE Specifications

CAS Number

130018-77-8

Molecular Formula

C21H25ClN2O3

Molecular Weight

388.89 g/mol (free base); 461.81 g/mol (dihydrochloride)

IUPAC Name

2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid

Canonical SMILES

OC(=O)COCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1

InChI Key

ZKLPARSLTMPFCP-OAQYLSRUSA-N

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

EINECS Number

601-017-1

MDL Number

MFCD07366507

HSN No

30049099

CAS Number

130018-77-8

Molecular Formula

C21H25ClN2O3

Molecular Weight

388.89 g/mol (free base); 461.81 g/mol (dihydrochloride)

IUPAC Name

2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid

Canonical SMILES

OC(=O)COCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1

InChI Key

ZKLPARSLTMPFCP-OAQYLSRUSA-N

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

EINECS Number

601-017-1

MDL Number

MFCD07366507

HSN No

30049099

Molecular Weight

388.89 g/mol (free base); 461.81 g/mol (dihydrochloride)

Boiling Point

542.1 °C

Density

1.237 g/cm3

PSA

53 Å²

Average mass

388.89 g/mol

Monoisotopic mass

388.1553704 Da

Molar mass

388.89 g/mol

Precautionary Statement Codes

P264, P270, P273, P301+P312, P330, P391, and P501

Hazard Classes and Categories

Acute Tox. 4 (98.2%) Aquatic Acute 1 (88.3%)

Second-generation Antihistamine

A potent and selective H1-receptor antagonist used for the symptomatic relief of allergic rhinitis, including seasonal and perennial variants, and the treatment of uncomplicated skin manifestations of chronic idiopathic urticaria

Pharmaceutical Active Ingredient

An R-enantiomer of cetirizine dihydrochloride utilized in the formulation of oral tablets and solutions to inhibit histamine-induced effects such as sneezing, rhinorrhea, and pruritus

Anti-inflammatory Agent

A therapeutic compound that modulates the allergic response by inhibiting the release of pro-inflammatory cytokines, eicosanoids, and limiting eosinophil recruitment at clinically relevant concentrations.