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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=CC=CC(NC(C)=O)=C2C(O)=O

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

Approval Year

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
FDA UNII
39HD8U1X28
Created by admin on Sat Dec 16 10:08:36 GMT 2023 , Edited by admin on Sat Dec 16 10:08:36 GMT 2023
PRIMARY
CAS
1384439-48-8
Created by admin on Sat Dec 16 10:08:36 GMT 2023 , Edited by admin on Sat Dec 16 10:08:36 GMT 2023
PRIMARY
PUBCHEM
91810683
Created by admin on Sat Dec 16 10:08:36 GMT 2023 , Edited by admin on Sat Dec 16 10:08:36 GMT 2023
PRIMARY