Apremilast Impurity 101

CAT: 1299-RM-A163023-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A163023-02Size:25 mg

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CAS Number

2097600-16-1

Synonyms

(S) -N- (1- (3-ethoxy-4-methoxyphenyl) -2- (methylsulfonyl) ethyl) acetamide

Molecular Formula

C14H21NO5S

Molecular Weight

315.38

Target Alternative Name

Apremilast

Product Name Synonym

(S) -N- (1- (3-ethoxy-4-methoxyphenyl) -2- (methylsulfonyl) ethyl) acetamide

Chemical Information

(S)-N-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl)acetamide

CAS Number	2097600-16-1
PubChem CID	89755428
IUPAC Name	N-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]acetamide
Molecular Formula	C14H21NO5S
Molecular Weight	315.39
XLogP	0.8
Topological Polar Surface Area	90.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	21
Formal Charge	0
Complexity	431

SMILES

CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)NC(=O)C)OC

InChI

InChI=1S/C14H21NO5S/c1-5-20-14-8-11(6-7-13(14)19-3)12(15-10(2)16)9-21(4,17)18/h6-8,12H,5,9H2,1-4H3,(H,15,16)/t12-/m1/s1

InChIKey

JXQHZPLOPHTQTK-GFCCVEGCSA-N

Chemical Structure

2D Structure

CAS: 2097600-16-1

CID: 89755428

Formula: C14H21NO5S

MW: 315.39

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	315.39
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	315.11404394
Monoisotopic Mass	315.11404394
Topological Polar Surface Area	90.1 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	431
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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-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-A162994-01	Apremilast Impurity N
RM-A162976-01	Apremilast Impurity 76
RM-A163008-01	Apremilast Impurity 86
RM-A163044-01	Apremilast Impurity 122
RM-A163043-01	Apremilast Impurity 121
RM-A163039-01	Apremilast Impurity 117