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N-Acetyl dapsone-d4-1

CAT: 0804-HY-G0016S1-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-G0016S1-01Size:1 mg
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Description
N-acetyl Dapsone-d4-1 is the deuterium labeled N-acetyl Dapsone, which is a metabolite of Dapsone.
CAS Number
2070015-28-8
Product Name Alternative
MADDS-d4-1; Monoacetyldapsone-d4-1
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Applications
Neuroscience-Neuromodulation
Field of Research
Inflammation/Immunology
Purity
98.00
Solubility
10 mM in DMSO
Smiles
C(NC1=C([2H])C([2H])=C(S(C2=CC=C(N)C=C2)(=O)=O)C([2H])=C1[2H])(=O)C
Molecular Formula
C14H10D4N2O3S
Molecular Weight
294.36
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

N-acetyl Dapsone (D4')
CAS Number2070015-28-8
PubChem CID118704768
IUPAC NameN-[4-(4-aminophenyl)sulfonyl-2,3,5,6-tetradeuteriophenyl]acetamide
Molecular FormulaC14H14N2O3S
Molecular Weight294.36
XLogP0.9
Topological Polar Surface Area97.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity428
SMILES
[2H]C1=C(C(=C(C(=C1NC(=O)C)[2H])[2H])S(=O)(=O)C2=CC=C(C=C2)N)[2H]
InChI
InChI=1S/C14H14N2O3S/c1-10(17)16-12-4-8-14(9-5-12)20(18,19)13-6-2-11(15)3-7-13/h2-9H,15H2,1H3,(H,16,17)/i4D,5D,8D,9D
InChIKey
WDOCBIHNYYQINH-DOGSKSIHSA-N
Chemical Structure
2D Structure
2D structure of N-acetyl Dapsone (D4')
CAS: 2070015-28-8
CID: 118704768
Formula: C14H14N2O3S
MW: 294.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight294.36
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass294.09762047
Monoisotopic Mass294.09762047
Topological Polar Surface Area97.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity428
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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Alternative Products

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MBS5771979N-acetyl Dapsone (D4')
T19441-01N-acetyl Dapsone D4
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MBS6064966-01Dapsone-d4 Hydroxylamine (N-Hydroxy-4,4'-sulfonyldi(aniline)-d4)
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