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Eletriptan-d3

CAT: 1459-CS-EV-00010Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-EV-00010Size:1 Each
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Description
Eletriptan-d3 is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Eletriptan. The product is supplied by Clearsynth under CAT No. CS-EV-00010. 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
1287040-94-1
Synonyms
Eletriptan-d3
Molecular Formula
C 22 H 23 D 3 N 2 O 2 S
Molecular Weight
385.54 g
Additionnal Information
Eletriptan-d3 is supplied with detailed characterization data compliant with regulatory guideline. Eletriptan-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 Eletriptan.
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 complete information.

Chemical Information

Eletriptan-d3
CAS Number1287040-94-1
PubChem CID71316312
IUPAC Name5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
Molecular FormulaC22H26N2O2S
Molecular Weight385.5
XLogP4.1
Topological Polar Surface Area61.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity582
SMILES
[2H]C([2H])([2H])N1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H26N2O2S/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3/t19-/m1/s1/i1D3
InChIKey
PWVXXGRKLHYWKM-ZDRPVFGASA-N
Chemical Structure
2D Structure
2D structure of Eletriptan-d3
CAS: 1287040-94-1
CID: 71316312
Formula: C22H26N2O2S
MW: 385.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.5
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass385.19032949
Monoisotopic Mass385.19032949
Topological Polar Surface Area61.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity582
Isotope Atom Count3
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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