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Salmeterol-d3

CAT: 1459-CS-O-03000Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-03000Size:1 Each
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Description
Salmeterol-d3 is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Salmeterol. The product is supplied by Clearsynth under CAT No. CS-O-03000. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
"A deuterated ?2-Adrenergic agonist. Deuterated structural analog of albuterol. Bronchodilator. A representative lot is 98% isotopically pure, 94% d3, 6% d2 with no d0.; Labeled Salmeterol, intended for use as an internal standard for the quantification of Salmeterol by GC- or LC-mass spectrometry."
CAS Number
497063-94-2
Synonyms
Salmeterol-d3
Molecular Formula
C 25 H 34 D 3 NO 4
Molecular Weight
418.58
Additionnal Information
Salmeterol-d3 is supplied with detailed characterization data compliant with regulatory guideline. Salmeterol-d3 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 Salmeterol.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
"A deuterated ?2-Adrenergic agonist. Deuterated structural analog of albuterol. Bronchodilator. A representative lot is 98% isotopically pure, 94% d3, 6% d2 with no d0.; Labeled Salmeterol, intended for use as an internal standard for the quantification of Salmeterol by GC- or LC-mass spectrometry."
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

Salmeterol-d3
CAS Number497063-94-2
PubChem CID10938665
IUPAC Name4-[1-deuterio-1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]-2-[dideuterio(hydroxy)methyl]phenol
Molecular FormulaC25H37NO4
Molecular Weight418.6
XLogP3.9
Topological Polar Surface Area82
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count16
Heavy Atom Count30
Formal Charge0
Complexity403
SMILES
[2H]C([2H])(C1=C(C=CC(=C1)C([2H])(CNCCCCCCOCCCCC2=CC=CC=C2)O)O)O
InChI
InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2/i20D2,25D
InChIKey
GIIZNNXWQWCKIB-LPUTUNIKSA-N
Chemical Structure
2D Structure
2D structure of Salmeterol-d3
CAS: 497063-94-2
CID: 10938665
Formula: C25H37NO4
MW: 418.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.6
XLogP33.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count16
Exact Mass418.29108890
Monoisotopic Mass418.29108890
Topological Polar Surface Area82 Ų
Heavy Atom Count30
Formal Charge0
Complexity403
Isotope Atom Count3
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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