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Loratadine-d5 (Ethyl-d5)

CAT: 1459-CS-T-57296Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-57296Size:1 Each
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Description
Loratadine-d5 (Ethyl-d5) is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Loratadine. The product is supplied by Clearsynth under CAT No. CS-T-57296. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
"Labeled Loratadine, intended for use as an internal standard for the quantification of Loratadine by GC- or LC-mass spectrometry."
CAS Number
1398065-63-8
Synonyms
Loratadine-d5 (Ethyl-d5)
Molecular Formula
C 22 H 18 D 5 ClN 2 O 2
Molecular Weight
387.91
Additionnal Information
Loratadine-d5 (Ethyl-d5) is supplied with detailed characterization data compliant with regulatory guideline. Loratadine-d5 (Ethyl-d5) can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Loratadine.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
"Labeled Loratadine, intended for use as an internal standard for the quantification of Loratadine by GC- or LC-mass spectrometry."
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

Loratadine-d5 (ethyl-d5)

See also: Loratadine (annotation moved to).

CAS Number1398065-63-8
PubChem CID131953214
IUPAC Name1,1,2,2,2-pentadeuterioethyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate
Molecular FormulaC22H23ClN2O2
Molecular Weight387.9
XLogP5.2
Topological Polar Surface Area42.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity569
SMILES
[2H]C([2H])([2H])C([2H])([2H])OC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1
InChI
InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3/i1D3,2D2
InChIKey
JCCNYMKQOSZNPW-ZBJDZAJPSA-N
Chemical Structure
2D Structure
2D structure of Loratadine-d5 (ethyl-d5)
CAS: 1398065-63-8
CID: 131953214
Formula: C22H23ClN2O2
MW: 387.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.9
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass387.1761894
Monoisotopic Mass387.1761894
Topological Polar Surface Area42.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity569
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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