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Apremilast EP Impurity E

CAT: 1596-AR-A02310-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A02310-03Size:50 Units
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CAS Number
2487573-03-3
Synonyms
N- (2- (1- (4-ethoxy-3-methoxyphenyl) -2- (methylsulfonyl) ethyl) -1,3-dioxoisoindolin-4-yl) acetamide; Apremilast Related Compound E
Molecular Formula
C22H24N2O7S
Molecular Weight
460.51
API Name
Apremilast

Chemical Information

Apremilast EP Impurity E
CAS Number2487573-03-3
PubChem CID176489833
IUPAC NameN-[2-[1-(4-ethoxy-3-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide
Molecular FormulaC22H24N2O7S
Molecular Weight460.5
XLogP1.8
Topological Polar Surface Area127
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity825
SMILES
CCOC1=C(C=C(C=C1)C(CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC
InChI
InChI=1S/C22H24N2O7S/c1-5-31-18-10-9-14(11-19(18)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)
InChIKey
RRQQEBWSUBCGRF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Apremilast EP Impurity E
CAS: 2487573-03-3
CID: 176489833
Formula: C22H24N2O7S
MW: 460.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.5
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass460.13042228
Monoisotopic Mass460.13042228
Topological Polar Surface Area127 Ų
Heavy Atom Count32
Formal Charge0
Complexity825
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
RM-A162981-01Apremilast Impurity A (R-Apremilast)
RM-A163004-01Apremilast Impurity 82; Rac-Apremilast
RM-A162983-01Apremilast Impurity C (Apremilast Dimer)
RM-A162982-01Apremilast Impurity B (Deacetyl Apremilast)
HY-Z0531-01Apremilast impurity 2
HY-I0743-01Apremilast impurity 1
RM-A163008-01Apremilast Impurity 86
RM-A163044-01Apremilast Impurity 122
RM-A163043-01Apremilast Impurity 121
RM-A163039-01Apremilast Impurity 117

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