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Acedapsone-d8

CAT: 0804-HY-W699159-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W699159-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Acedapsone-d8 is the deuterium labeled Acedapsone. Acedapsone is a compound with antimalarial and antimicrobial activities. Acedapsone is mainly used as a long-acting leprosy inhibitor[1].
CAS Number
557794-37-3
UNSPSC
12352005
Target
Histone Methyltransferase; Isotope-Labeled Compounds
Related Pathways
Epigenetics; Others
Field of Research
Infection
Smiles
O=S(C1=C(C([2H])=C(C([2H])=C1[2H])NC(C)=O)[2H])(C2=C(C([2H])=C(C([2H])=C2[2H])NC(C)=O)[2H])=O
Molecular Formula
C16H8D8N2O4S
Molecular Weight
340.42
References & Citations
[1]Repository drugs. VI. 4'-[N- (Aralkylidene-, -Benzylidene-, and -naphthylidene) sulfanilyl]anilides, 4'-[N-[ (Dimethylamino) methylene]sulfanilyl]anilides, and related sulfanilylanilides with prolonged antimalarial and antileprotic action
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

4,4'-Di-N-acetylamino-diphenylsulfone-d8
CAS Number557794-37-3
PubChem CID11067783
IUPAC NameN-[4-(4-acetamido-2,3,5,6-tetradeuteriophenyl)sulfonyl-2,3,5,6-tetradeuteriophenyl]acetamide
Molecular FormulaC16H16N2O4S
Molecular Weight340.4
XLogP1.1
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity483
SMILES
[2H]C1=C(C(=C(C(=C1NC(=O)C)[2H])[2H])S(=O)(=O)C2=C(C(=C(C(=C2[2H])[2H])NC(=O)C)[2H])[2H])[2H]
InChI
InChI=1S/C16H16N2O4S/c1-11(19)17-13-3-7-15(8-4-13)23(21,22)16-9-5-14(6-10-16)18-12(2)20/h3-10H,1-2H3,(H,17,19)(H,18,20)/i3D,4D,5D,6D,7D,8D,9D,10D
InChIKey
AMTPYFGPPVFBBI-UWAUJQNOSA-N
Chemical Structure
2D Structure
2D structure of 4,4'-Di-N-acetylamino-diphenylsulfone-d8
CAS: 557794-37-3
CID: 11067783
Formula: C16H16N2O4S
MW: 340.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.4
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass340.13329214
Monoisotopic Mass340.13329214
Topological Polar Surface Area101 Ų
Heavy Atom Count23
Formal Charge0
Complexity483
Isotope Atom Count8
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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