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Cetirizine DiHCl

CAT: 1596-AR-C02321-01Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C02321-01Size:50 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
83881-52-1
Synonyms
2- (2- (4- ((4-chlorophenyl) (phenyl) methyl) piperazin-1-yl) ethoxy) acetic acid dihydrochloride; [2-[4-[ (4-Chlorophenyl) phenylmethyl]-1-piperazinyl]ethoxy]acetic Acid Dihydrochloride; Alercet; Alerid; Alerlisin; Cesta; Cetiriz; Cetrak; Cetrine; Cetrizet; Cistamine; Epirizine; Formistin; Histazine; Histazine-1; Nosemin; P 071; Reactine; Riztec; Ryzen; Sancotec; Selitex; Tomazine; Triz; UCB-P 071; Virlix; Zeran; Zirtec; Zirtek; Zirtin; Zyrlex; Zyrtec; Zyrzine
Molecular Formula
C21H25ClN2O3. 2 HCl
Molecular Weight
388.89; 2 (36.46)
API Name
Cetirizine

Chemical Information

Cetirizine Hydrochloride

Cetirizine hydrochloride is a diarylmethane.

CAS Number83881-52-1
PubChem CID55182
IUPAC Name2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid;dihydrochloride
Molecular FormulaC21H27Cl3N2O3
Molecular Weight461.8
Topological Polar Surface Area53
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity443
SMILES
C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl.Cl
InChI
InChI=1S/C21H25ClN2O3.2ClH/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);2*1H
InChIKey
PGLIUCLTXOYQMV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cetirizine Hydrochloride
CAS: 83881-52-1
CID: 55182
Formula: C21H27Cl3N2O3
MW: 461.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight461.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass460.108726
Monoisotopic Mass460.108726
Topological Polar Surface Area53 Ų
Heavy Atom Count29
Formal Charge0
Complexity443
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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