Acedapsone Impurity 1

CAT: 1299-RM-A311001-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A311001-01Size:10 mg

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CAS Number

54616-64-7

Synonyms

4,4'- (oxybis (4,1-phenylenesulfonyl) ) dianiline

Molecular Formula

C24H20N2O5S2

Molecular Weight

480.55

Target Alternative Name

Acedapsone

Product Name Synonym

4,4'- (oxybis (4,1-phenylenesulfonyl) ) dianiline

Chemical Information

4-(4-(4-(4-Aminophenyl)sulfonylphenoxy)phenyl)sulfonylaniline

CAS Number	54616-64-7
PubChem CID	18401317
IUPAC Name	4-[4-[4-(4-aminophenyl)sulfonylphenoxy]phenyl]sulfonylaniline
Molecular Formula	C24H20N2O5S2
Molecular Weight	480.6
XLogP	3
Topological Polar Surface Area	146
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	33
Formal Charge	0
Complexity	749

SMILES

C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)N

InChI

InChI=1S/C24H20N2O5S2/c25-17-1-9-21(10-2-17)32(27,28)23-13-5-19(6-14-23)31-20-7-15-24(16-8-20)33(29,30)22-11-3-18(26)4-12-22/h1-16H,25-26H2

InChIKey

CAIMXHCQEIPTCR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 54616-64-7

CID: 18401317

Formula: C24H20N2O5S2

MW: 480.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	480.6
XLogP3	3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	480.08136409
Monoisotopic Mass	480.08136409
Topological Polar Surface Area	146 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	749
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-A311002-01	Acedapsone Impurity 2
RM-I210627-01	Ramelteon Impurity 1 ; Ibuprofen Impurity 1
RM-D270002-01	Denaverine Impurity 1; Pargeverine Impurity 1
RM-K200336-01	Ketoconazole Impurity 36; Itraconazole Impurity 1
RM-V192110-01	Valsartan Impurity 110 ; Sacubitril Impurity 1
RM-S132255-01	Simvastatin Impurity 8; Pravastatin Impurity 1
RM-A220166-01	Avatrombopag Impurity 66; Piperazine Impurity 1
RM-M050901-01	Methimazole Impurity 1; Thiamazole EP Impurity A
RM-P201667-01	Pantoprazole Impurity 41; Omeprazole Impurity 1
RM-E042813-01	Edoxaban Impurity M; Zopiclone Impurity 1

Catalog	Name
GTR19198309-01	Acedapsone
HY-W699159-01	Acedapsone-d8
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AR-I04650-01	Secnidazole Impurity A (Tinidazole EP Impurity A)
AR-N01253-01	Nelfinavir Sulfone Impurity (Impurity C)
CS-O-41225	Solifenacin EP Impurity A Nitroso Impurity