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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H22N2O7S
Molecular Weight 446.474
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-DEMETHYL APREMILAST

SMILES

CCOC1=CC(=CC=C1O)[C@@H](CS(C)(=O)=O)N2C(=O)C3=CC=CC(NC(C)=O)=C3C2=O

InChI

InChIKey=PEUJABWEZWJNBO-MRXNPFEDSA-N
InChI=1S/C21H22N2O7S/c1-4-30-18-10-13(8-9-17(18)25)16(11-31(3,28)29)23-20(26)14-6-5-7-15(22-12(2)24)19(14)21(23)27/h5-10,16,25H,4,11H2,1-3H3,(H,22,24)/t16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H22N2O7S
Molecular Weight 446.474
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Tue Mar 06 15:12:58 UTC 2018
Edited
by admin
on Tue Mar 06 15:12:58 UTC 2018
Record UNII
0SUF2IX83T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-DEMETHYL APREMILAST
Common Name English
ACETAMIDE, N-(2-((1S)-1-(3-ETHOXY-4-HYDROXYPHENYL)-2-(METHYLSULFONYL)ETHYL)-2,3-DIHYDRO-1,3-DIOXO-1H-ISOINDOL-4-YL)-
Systematic Name English
APREMILAST (M3)
Common Name English
O-DESMETHYL APREMILAST
Systematic Name English
Code System Code Type Description
CAS
1384441-38-6
Created by admin on Tue Mar 06 15:12:58 UTC 2018 , Edited by admin on Tue Mar 06 15:12:58 UTC 2018
PRIMARY
PUBCHEM
68088610
Created by admin on Tue Mar 06 15:12:58 UTC 2018 , Edited by admin on Tue Mar 06 15:12:58 UTC 2018
PRIMARY SWITZERF
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