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Brimonidine-d4 D-Tartrate

CAT: 1459-CS-B-00072Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-B-00072Size:1 Each
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Description
Brimonidine-d4 D-Tartrate is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Brimonidine. The product is supplied by Clearsynth under CAT No. CS-B-00072. 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 Brimonidine, intended for use as an internal standard for the quantification of Brimonidine by GC- or LC-mass spectrometry."
CAS Number
1316758-27-6
Synonyms
Brimonidine-d4 D-Tartrate
Molecular Formula
C 15 H 12 D 4 BrN 5 O 6
Molecular Weight
446.25
Additionnal Information
Brimonidine-d4 D-Tartrate is supplied with detailed characterization data compliant with regulatory guideline. Brimonidine-d4 D-Tartrate 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 Brimonidine.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
"Labeled Brimonidine, intended for use as an internal standard for the quantification of Brimonidine by GC- or LC-mass spectrometry."
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

Brimonidine-d4 D-Tartrate
CAS Number1316758-27-6
PubChem CID71314199
IUPAC Name5-bromo-N-(4,4,5,5-tetradeuterio-1H-imidazol-2-yl)quinoxalin-6-amine;(2S,3S)-2,3-dihydroxybutanedioic acid
Molecular FormulaC15H16BrN5O6
Molecular Weight446.25
Topological Polar Surface Area177
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity442
SMILES
[2H]C1(C(N=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br)([2H])[2H])[2H].[C@H]([C@@H](C(=O)O)O)(C(=O)O)O
InChI
InChI=1S/C11H10BrN5.C4H6O6/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8;5-1(3(7)8)2(6)4(9)10/h1-4H,5-6H2,(H2,15,16,17);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.0/s1/i5D2,6D2;
InChIKey
QZHBYNSSDLTCRG-IQSCRJKKSA-N
Chemical Structure
2D Structure
2D structure of Brimonidine-d4 D-Tartrate
CAS: 1316758-27-6
CID: 71314199
Formula: C15H16BrN5O6
MW: 446.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.25
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass445.05350
Monoisotopic Mass445.05350
Topological Polar Surface Area177 Ų
Heavy Atom Count27
Formal Charge0
Complexity442
Isotope Atom Count4
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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