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3-Hydroxy desloratadine-d4

CAT: 0804-HY-124245S-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-124245S-01Size:1 mg
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Description
3-Hydroxy desloratadine-d4 is the deuterium labeled 3-Hydroxy desloratadine[1].
CAS Number
1246819-99-7
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
ClC=1C=C2C(C(C=3C(=CC(O)=CN3)CC2)=C4CC(NC(C4)([2H])[2H])([2H])[2H])=CC1
Molecular Formula
C19H15D4ClN2O
Molecular Weight
330.84
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

3-Hydroxy Desloratadine-d4
CAS Number1246819-99-7
PubChem CID71748976
IUPAC Name13-chloro-2-(2,2,6,6-tetradeuteriopiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-6-ol
Molecular FormulaC19H19ClN2O
Molecular Weight330.8
XLogP4.1
Topological Polar Surface Area45.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count23
Formal Charge0
Complexity458
SMILES
[2H]C1(CC(=C2C3=C(CCC4=C2N=CC(=C4)O)C=C(C=C3)Cl)CC(N1)([2H])[2H])[2H]
InChI
InChI=1S/C19H19ClN2O/c20-15-3-4-17-13(9-15)1-2-14-10-16(23)11-22-19(14)18(17)12-5-7-21-8-6-12/h3-4,9-11,21,23H,1-2,5-8H2/i7D2,8D2
InChIKey
NDFMTPISBHBIKE-OSEHSPPNSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxy Desloratadine-d4
CAS: 1246819-99-7
CID: 71748976
Formula: C19H19ClN2O
MW: 330.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data

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