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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H20N2O6S
Molecular Weight 404.437
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=RNEPXCGHBYQJJA-CQSZACIVSA-N
InChI=1S/C19H20N2O6S/c1-3-27-16-9-11(7-8-15(16)22)14(10-28(2,25)26)21-18(23)12-5-4-6-13(20)17(12)19(21)24/h4-9,14,22H,3,10,20H2,1-2H3/t14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H20N2O6S
Molecular Weight 404.437
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
98Z99JE779
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-DEMETHYL-N-DEACETYL APREMILAST
Common Name English
1H-ISOINDOLE-1,3(2H)-DIONE, 4-AMINO-2-((1S)-1-(3-ETHOXY-4-HYDROXYPHENYL)-2-(METHYLSULFONYL)ETHYL)-
Systematic Name English
O-DESMETHYL-N-DEACETYL APREMILAST
Systematic Name English
APREMILAST (M4)
Common Name English
Code System Code Type Description
PUBCHEM
57524404
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
1384440-16-7
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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