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Ebastine-d5

CAT: 1459-CS-O-10173Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-10173Size:1 Each
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Description
Ebastine-d5 is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Ebastine. The product is supplied by Clearsynth under CAT No. CS-O-10173. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
1216953-13-7
Synonyms
Ebastine-d5
Molecular Formula
C 32 H 34 D 5 NO 2
Molecular Weight
474.70
Additionnal Information
Ebastine-d5 is supplied with detailed characterization data compliant with regulatory guideline. Ebastine-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 Ebastine.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

Ebastine-d5
CAS Number1216953-13-7
PubChem CID45039122
IUPAC Name1-(4-tert-butylphenyl)-4-[4-[(2,3,4,5,6-pentadeuteriophenyl)-phenylmethoxy]piperidin-1-yl]butan-1-one
Molecular FormulaC32H39NO2
Molecular Weight474.7
XLogP7.2
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Heavy Atom Count35
Formal Charge0
Complexity594
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C(C2=CC=CC=C2)OC3CCN(CC3)CCCC(=O)C4=CC=C(C=C4)C(C)(C)C)[2H])[2H]
InChI
InChI=1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3/i4D,6D,7D,11D,12D
InChIKey
MJJALKDDGIKVBE-UAVBZTRNSA-N
Chemical Structure
2D Structure
2D structure of Ebastine-d5
CAS: 1216953-13-7
CID: 45039122
Formula: C32H39NO2
MW: 474.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.7
XLogP37.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass474.329463217
Monoisotopic Mass474.329463217
Topological Polar Surface Area29.5 Ų
Heavy Atom Count35
Formal Charge0
Complexity594
Isotope Atom Count5
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
HY-B0674SEbastine-d5
PXB42436-01Desalkyl ebastine-d5
sc-280797Hydroxy Ebastine-d5
HY-143955S-01Ebastine-d5 (fumarate)
AR-E01009-01Ebastine-d5 Fumarate
AR-E09238-01Ebastine-d5 (Piperidine-ring-d5)
467023-01Tert-Amyl Ebastine-d5
sc-497373Ebastine-d5 N-Oxide
317143Ebastine

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