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Thiorphan-d7

CAT: 1459-CS-O-07004Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-07004Size:1 Each
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Description
Thiorphan-d7 is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Thiorphan. The product is supplied by Clearsynth under CAT No. CS-O-07004. 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 Thiorphan, intended for use as an internal standard for the quantification of Thiorphan by GC- or LC-mass spectrometry."
CAS Number
1276297-68-7
Synonyms
Thiorphan-d7
Molecular Formula
C 12 H 8 D 7 NO 3 S
Molecular Weight
260.36
Additionnal Information
Thiorphan-d7 is supplied with detailed characterization data compliant with regulatory guideline. Thiorphan-d7 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 Thiorphan.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
"Labeled Thiorphan, intended for use as an internal standard for the quantification of Thiorphan by GC- or LC-mass spectrometry."
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

Thiorphan-d7
CAS Number1276297-68-7
PubChem CID71752536
IUPAC Name2-[[3,3-dideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-2-(sulfanylmethyl)propanoyl]amino]acetic acid
Molecular FormulaC12H15NO3S
Molecular Weight260.36
XLogP1.3
Topological Polar Surface Area67.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count17
Formal Charge0
Complexity264
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])C(CS)C(=O)NCC(=O)O)[2H])[2H]
InChI
InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/i1D,2D,3D,4D,5D,6D2
InChIKey
LJJKNPQAGWVLDQ-XZJKGWKKSA-N
Chemical Structure
2D Structure
2D structure of Thiorphan-d7
CAS: 1276297-68-7
CID: 71752536
Formula: C12H15NO3S
MW: 260.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.36
XLogP31.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass260.12120174
Monoisotopic Mass260.12120174
Topological Polar Surface Area67.4 Ų
Heavy Atom Count17
Formal Charge0
Complexity264
Isotope Atom Count7
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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