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Desloratadine-d9

CAT: 0804-HY-B0539S1-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0539S1-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Desloratadine-d9 is the deuterium labeled Desloratadine. Desloratadine (Sch34117) is the orally active major metabolite of the nonsedating H1-antihistamine Loratadine. Desloratadine is a selective H1-receptor antagonist that has anti-allergic and anti-inflammatory activities[1][2].
CAS Number
1795024-82-6
Product Name Alternative
Sch34117-d9
UNSPSC
12352005
Target
Endogenous Metabolite; Histamine Receptor; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
GPCR/G Protein; Immunology/Inflammation; Metabolic Enzyme/Protease; Neuronal Signaling; Others
Field of Research
Inflammation/Immunology; Endocrinology
Solubility
10 mM in DMSO
Smiles
ClC1=CC=C(/C(C2=NC([2H])=CC=C2C([2H])C3[2H])=C4C([2H])C([2H])([2H])NC([2H])([2H])C/4[2H])C3=C1
Molecular Formula
C19H10D9ClN2
Molecular Weight
319.88
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216. |[2]Geha, R.S. and E.O. Meltzer, Desloratadine: A new, nonsedating, oral antihistamine. J Allergy Clin Immunol, 2001. 107 (4) : p. 751-62.|[3]Schroeder, J.T., et al., Inhibition of cytokine generation and mediator release by human basophils treated with desloratadine. Clin Exp Allergy, 2001. 31 (9) : p. 1369-77.|[4]Anthes, J.C., et al., Biochemical characterization of desloratadine, a potent antagonist of the human histamine H (1) receptor. Eur J Pharmacol, 2002. 449 (3) : p. 229-37.|[5]McClellan K, et al. Desloratadine. Drugs. 2001;61 (6) :789-797.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported
Isoform
H1 Receptor

Chemical Information

Desloratadine-d7 (major)
CAS Number1795024-82-6
PubChem CID71315695
IUPAC Name13-chloro-5,9,10-trideuterio-2-(2,2,3,5,6,6-hexadeuteriopiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
Molecular FormulaC19H19ClN2
Molecular Weight319.9
XLogP4.5
Topological Polar Surface Area24.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity425
SMILES
[2H]C1C(C2=C(C=CC(=C2)Cl)C(=C3C(C(NC(C3[2H])([2H])[2H])([2H])[2H])[2H])C4=C1C=CC(=N4)[2H])[2H]
InChI
InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2/i3D,4D,7D,8D,9D,10D2,11D2
InChIKey
JAUOIFJMECXRGI-DCCOGPGTSA-N
Chemical Structure
2D Structure
2D structure of Desloratadine-d7 (major)
CAS: 1795024-82-6
CID: 71315695
Formula: C19H19ClN2
MW: 319.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight319.9
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass319.1801670
Monoisotopic Mass319.1801670
Topological Polar Surface Area24.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity425
Isotope Atom Count9
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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