Apremilast

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CAT#:1596-AR-A02303-02Size:100 Units

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CAS Number

608141-41-9

Synonyms

(S) -N- (2- (1- (3-ethoxy-4-methoxyphenyl) -2- (methylsulfonyl) ethyl) -1,3-dioxoisoindolin-4-yl) acetamide; (S) -2-[1- (3-Ethoxy-4-methoxyphenyl) -2-methylsulfonylethyl]-4-acetylaminoisoindoline-1,3-dione; (S) -N- (2- (1- (3-Ethoxy-4-methoxyphenyl) -2- (methylsulfonyl) ethyl) -1,3-dioxoisoindolin-4-yl) acetamide; Apremilast; CC 10004

Molecular Formula

C22H24N2O7S

Molecular Weight

460.51

API Name

Apremilast

Chemical Information

Apremilast

Apremilast is a member of the class of isoindoles that is isoindole-1,3-dione substituted at position 4 by an acetamido group and at position 1 by a 1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl group. Used for treatment of psoriatic arthritis. It has a role as a non-steroidal anti-inflammatory drug and a phosphodiesterase IV inhibitor. It is a N-acetylarylamine, an aromatic ether, a sulfone and a member of phthalimides.

CAS Number	608141-41-9
PubChem CID	11561674
IUPAC Name	N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide
Molecular Formula	C22H24N2O7S
Molecular Weight	460.5
XLogP	1.8
Topological Polar Surface Area	127
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Heavy Atom Count	32
Formal Charge	0
Complexity	825

SMILES

CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC

InChI

InChI=1S/C22H24N2O7S/c1-5-31-19-11-14(9-10-18(19)30-3)17(12-32(4,28)29)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(24)27/h6-11,17H,5,12H2,1-4H3,(H,23,25)/t17-/m1/s1

InChIKey

IMOZEMNVLZVGJZ-QGZVFWFLSA-N

Chemical Structure

2D Structure

CAS: 608141-41-9

CID: 11561674

Formula: C22H24N2O7S

MW: 460.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	460.5
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	460.13042228
Monoisotopic Mass	460.13042228
Topological Polar Surface Area	127 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	825
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

Alternative Products

Catalog	Name
RM-A162981-01	Apremilast Impurity A (R-Apremilast)
FA29510-01	Apremilast
GTR19201927-01	Apremilast, (+/-) -
MBS5772816	Apremilast, (+/-)-

Apremilast

Chemical Information

Alternative Products

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