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Macitentan-d4

CAT: 1459-CS-O-14938Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-14938Size:1 Each
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Description
Macitentan-d4 is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Macitentan. The product is supplied by Clearsynth under CAT No. CS-O-14938. 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 Macitentan , intended for use as an internal standard for the quantification of Macitentan by GC- or LC-mass spectrometry."
CAS Number
1258428-05-5
Synonyms
Macitentan-d4
Molecular Formula
C 19 H 16 D 4 Br 2 N 6 O 4 S
Molecular Weight
592.30
Additionnal Information
Macitentan-d4 is supplied with detailed characterization data compliant with regulatory guideline. Macitentan-d4 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 Macitentan.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
"Labeled Macitentan , intended for use as an internal standard for the quantification of Macitentan by GC- or LC-mass spectrometry."
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

Macitentan-d4
CAS Number1258428-05-5
PubChem CID49849030
IUPAC Name5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxy-1,1,2,2-tetradeuterioethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine
Molecular FormulaC19H20Br2N6O4S
Molecular Weight592.3
XLogP3.7
Topological Polar Surface Area137
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Heavy Atom Count32
Formal Charge0
Complexity642
SMILES
[2H]C([2H])(C([2H])([2H])OC1=NC=C(C=N1)Br)OC2=NC=NC(=C2C3=CC=C(C=C3)Br)NS(=O)(=O)NCCC
InChI
InChI=1S/C19H20Br2N6O4S/c1-2-7-26-32(28,29)27-17-16(13-3-5-14(20)6-4-13)18(25-12-24-17)30-8-9-31-19-22-10-15(21)11-23-19/h3-6,10-12,26H,2,7-9H2,1H3,(H,24,25,27)/i8D2,9D2
InChIKey
JGCMEBMXRHSZKX-LZMSFWOYSA-N
Chemical Structure
2D Structure
2D structure of Macitentan-d4
CAS: 1258428-05-5
CID: 49849030
Formula: C19H20Br2N6O4S
MW: 592.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight592.3
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Exact Mass591.98641
Monoisotopic Mass589.98846
Topological Polar Surface Area137 Ų
Heavy Atom Count32
Formal Charge0
Complexity642
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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