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Iguratimod impurity 1 (Standard)

CAT: 0804-HY-Z7676RSize: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-Z7676RSize:1 Each
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Description
N- (2- (2-Methoxy-4- (methylsulfonamido) -5-phenoxyphenyl) -2-oxoethyl) acetamide (Iguratimod Impurity) (Standard) is the analytical standard of N- (2- (2-Methoxy-4- (methylsulfonamido) -5-phenoxyphenyl) -2-oxoethyl) acetamide (Iguratimod Impurity) . This product is intended for research and analytical applications.
CAS Number
149456-97-3
UNSPSC
12352005
Target
Reference Standards
Related Pathways
Others
Smiles
CC(NCC(C1=CC(OC2=CC=CC=C2)=C(NS(=O)(C)=O)C=C1OC)=O)=O
Molecular Formula
C18H20N2O6S
Molecular Weight
392.43
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Iguratimod Impurity 10
CAS Number149456-97-3
PubChem CID166638306
IUPAC NameN-[2-[4-(methanesulfonamido)-2-methoxy-5-phenoxyphenyl]-2-oxoethyl]acetamide
Molecular FormulaC18H20N2O6S
Molecular Weight392.4
XLogP1.4
Topological Polar Surface Area119
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity612
SMILES
CC(=O)NCC(=O)C1=CC(=C(C=C1OC)NS(=O)(=O)C)OC2=CC=CC=C2
InChI
InChI=1S/C18H20N2O6S/c1-12(21)19-11-16(22)14-9-18(26-13-7-5-4-6-8-13)15(10-17(14)25-2)20-27(3,23)24/h4-10,20H,11H2,1-3H3,(H,19,21)
InChIKey
FQESIYQBZDVKNU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Iguratimod Impurity 10
CAS: 149456-97-3
CID: 166638306
Formula: C18H20N2O6S
MW: 392.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.4
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass392.10420754
Monoisotopic Mass392.10420754
Topological Polar Surface Area119 Ų
Heavy Atom Count27
Formal Charge0
Complexity612
Isotope Atom Count0
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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