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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H22N2O8S
Molecular Weight 462.473
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-DEMETHYL-N-DEACETYL-N-HYDROXYACETYL APREMILAST

SMILES

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

InChI

InChIKey=ILPGBIZNVGEKFG-OAHLLOKOSA-N
InChI=1S/C21H22N2O8S/c1-3-31-17-9-12(7-8-16(17)25)15(11-32(2,29)30)23-20(27)13-5-4-6-14(19(13)21(23)28)22-18(26)10-24/h4-9,15,24-25H,3,10-11H2,1-2H3,(H,22,26)/t15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H22N2O8S
Molecular Weight 462.473
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

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
P08G661IRZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-DEMETHYL-N-DEACETYL-N-HYDROXYACETYL APREMILAST
Common Name English
APREMILAST (M10)
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)-2-HYDROXY-
Systematic Name English
Code System Code Type Description
PUBCHEM
57524408
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
CAS
1384440-08-7
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
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