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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H24N2O8S
Molecular Weight 464.489
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(ACETYLAMINO)-6-((((1S)-1-(3-ETHOXY-4-HYDROXYPHENYL)-2-(METHYLSULFONYL)ETHYL)AMINO)CARBONYL)BENZOIC ACID

SMILES

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

InChI

InChIKey=ZHUCOAKDLOTYGA-MRXNPFEDSA-N
InChI=1S/C21H24N2O8S/c1-4-31-18-10-13(8-9-17(18)25)16(11-32(3,29)30)23-20(26)14-6-5-7-15(22-12(2)24)19(14)21(27)28/h5-10,16,25H,4,11H2,1-3H3,(H,22,24)(H,23,26)(H,27,28)/t16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H24N2O8S
Molecular Weight 464.489
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
39HD8U1X28
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(ACETYLAMINO)-6-((((1S)-1-(3-ETHOXY-4-HYDROXYPHENYL)-2-(METHYLSULFONYL)ETHYL)AMINO)CARBONYL)BENZOIC ACID
Systematic Name English
APREMILAST (M9)
Common Name English
BENZOIC ACID, 2-(ACETYLAMINO)-6-((((1S)-1-(3-ETHOXY-4-HYDROXYPHENYL)-2-(METHYLSULFONYL)ETHYL)AMINO)CARBONYL)-
Systematic Name English
Code System Code Type Description
CAS
1384439-48-8
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
91810683
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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