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Levocetirizine-d4

CAT: 0804-HY-B0814S1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0814S1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Levocetirizine-d4 ((R) -Cetirizine-d4) is the deuterium-labeled Levocetirizine. Levocetirizine ((R) -Cetirizine) is a third-generation peripheral H1-receptor antagonist. Levocetirizine is an antihistaminic agent which is the R-enantiomer of Cetirizine. Levocetirizine has a higher affinity for the histamine H1-receptor than (S) -Cetirizine and can effectively treat allergic rhinitis and chronic idiopathic urticaria[2].
CAS Number
1133210-23-7
Product Name Alternative
(R) -Cetirizine-d4
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Purity
99.41
Solubility
10 mM in DMSO
Smiles
OC(COC([2H])([2H])C([2H])([2H])N(CC1)CCN1[C@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl)=O
Molecular Formula
C21H21D4ClN2O3
Molecular Weight
392.91
Precautions
H302, H315, H319, H335
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

(R)-Cetirizine-d4 Dihydrochloride
CAS Number1133210-23-7
PubChem CID25230784
IUPAC Name2-[2-[4-[(R)-(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@H](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)/t21-/m1/s1/i14D2,15D2
InChIKey
ZKLPARSLTMPFCP-KNFDVUFYSA-N
Chemical Structure
2D Structure
2D structure of (R)-Cetirizine-d4 Dihydrochloride
CAS: 1133210-23-7
CID: 25230784
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 Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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