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Cetirizine-d4

CAT: 0804-HY-17042S-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-17042S-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Cetirizine-d4 is a deuterium labeled Cetirizine. Cetirizine, a second-generation antihistamine and the carboxylated metabolite of hydroxyzine, is a specific, orally active and long-acting histamine H1-receptor antagonist. Cetirizine marks antiallergic properties and inhibits eosinophil chemotaxis during the allergic response[1][2][3].
CAS Number
1219803-84-5
UNSPSC
12352005
Target
Histamine Receptor
Type
Isotope-Labeled Compounds
Related Pathways
GPCR/G Protein; Immunology/Inflammation; Neuronal Signaling
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Purity
98.0
Solubility
10 mM in H2O|DMSO : 250mg/mL (ultrasonic)
Smiles
O=C(O)COC([2H])([2H])C([2H])([2H])N1CCN(C(C2=CC=C(Cl)C=C2)C3=CC=CC=C3)CC1
Molecular Formula
C21H21D4ClN2O3
Molecular Weight
392.91
References & Citations
[1]Caroline M. Spencer, et al. Cetirizine. Drugs 46 (6) : 1055•1080, 1993.|[2]Shih MY, et al. Influence of cetirizine and levocetirizine on two cytokines secretion in human airway epithelial cells. Allergy Asthma Proc. 2008 Sep-Oct;29 (5) :480-5.|[3]Shimizu T, et al. Cetirizine, an H1-receptor antagonist, suppresses the expression of macrophage migration inhibitory factor: its potential anti-inflammatory action. Clin Exp Allergy. 2004 Jan;34 (1) :103-9.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported
Isoform
H1 Receptor

Chemical Information

Cetirizine-d4
CAS Number1219803-84-5
PubChem CID92044405
IUPAC Name2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1,1,2,2-tetradeuterioethoxy]acetic acid
Molecular FormulaC21H25ClN2O3
Molecular Weight392.9
XLogP1.7
Topological Polar Surface Area53
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity443
SMILES
[2H]C([2H])(C([2H])([2H])OCC(=O)O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
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)/i14D2,15D2
InChIKey
ZKLPARSLTMPFCP-QZPARXMSSA-N
Chemical Structure
2D Structure
2D structure of Cetirizine-d4
CAS: 1219803-84-5
CID: 92044405
Formula: C21H25ClN2O3
MW: 392.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.9
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass392.1804773
Monoisotopic Mass392.1804773
Topological Polar Surface Area53 Ų
Heavy Atom Count27
Formal Charge0
Complexity443
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
RM-C201839-01Cetirizine-D4
T10769-01Cetirizine D4
TRC-C281103-1MG(±)-Cetirizine-d4 Dihydrochloride
444232-01(±) -Cetirizine-d4 Dihydrochloride
AR-C07036-01(S) -Cetirizine-d4
T19233-01Cetirizine D4 dihydrochloride
TRC-C281108-1MG(R)-Cetirizine-d4 Dihydrochloride
IVB21023-01(R) -Cetirizine-d4 dihydrochloride
AR-C02294-01(R) -Cetirizine-d4 (Levocetirizine-d4) DiHCl
TRC-C364847-25MGCetirizine 3-Chloro Impurity Dihydrochloride-d4

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