Apremilast Impurity 167

CAT: 1299-RM-A163089-04Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-A163089-04Size:100 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

253168-83-1

Synonyms

4-amino-2- (1- (3-ethoxy-4-methoxyphenyl) -2- (methylsulfonyl) ethyl) isoindoline-1,3-dione

Molecular Formula

C20H22N2O6S

Molecular Weight

418.46

Target Alternative Name

Apremilast

Product Name Synonym

4-amino-2- (1- (3-ethoxy-4-methoxyphenyl) -2- (methylsulfonyl) ethyl) isoindoline-1,3-dione

Chemical Information

1H-Isoindole-1,3(2H)-dione, 4-amino-2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-

CAS Number	253168-83-1
PubChem CID	9844913
IUPAC Name	4-amino-2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]isoindole-1,3-dione
Molecular Formula	C20H22N2O6S
Molecular Weight	418.5
XLogP	2
Topological Polar Surface Area	124
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	29
Formal Charge	0
Complexity	721

SMILES

CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)N)OC

InChI

InChI=1S/C20H22N2O6S/c1-4-28-17-10-12(8-9-16(17)27-2)15(11-29(3,25)26)22-19(23)13-6-5-7-14(21)18(13)20(22)24/h5-10,15H,4,11,21H2,1-3H3

InChIKey

BHJUWEUNUCJYER-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 253168-83-1

CID: 9844913

Formula: C20H22N2O6S

MW: 418.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	418.5
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	418.11985760
Monoisotopic Mass	418.11985760
Topological Polar Surface Area	124 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	721
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-A162981-01	Apremilast Impurity A (R-Apremilast)
RM-A163004-01	Apremilast Impurity 82; Rac-Apremilast
RM-A162983-01	Apremilast Impurity C (Apremilast Dimer)
RM-A162982-01	Apremilast Impurity B (Deacetyl Apremilast)
RM-A163008-01	Apremilast Impurity 86
RM-A163044-01	Apremilast Impurity 122
RM-A163043-01	Apremilast Impurity 121
RM-A163039-01	Apremilast Impurity 117
RM-A162967-01	Apremilast Impurity 67
RM-A163095-01	Apremilast Impurity 173