2-(ACETYLAMINO)-6-((((1S)-1-(3-ETHOXY-4-HYDROXYPHENYL)-2-(METHYLSULFONYL)ETHYL)AMINO)CARBONYL)BENZOIC ACID

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

Structure Search

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	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:04:38 GMT 2025` Edited by `admin` on `Mon Mar 31 23:04:38 GMT 2025`
Record UNII	39HD8U1X28
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

APREMILAST (M9)

Preferred Name

English

2-(ACETYLAMINO)-6-((((1S)-1-(3-ETHOXY-4-HYDROXYPHENYL)-2-(METHYLSULFONYL)ETHYL)AMINO)CARBONYL)BENZOIC ACID

Systematic 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 Mon Mar 31 23:04:38 GMT 2025 , Edited by admin on Mon Mar 31 23:04:38 GMT 2025

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CAS

1384439-48-8

Created by admin on Mon Mar 31 23:04:38 GMT 2025 , Edited by admin on Mon Mar 31 23:04:38 GMT 2025

PRIMARY

PUBCHEM

91810683

Created by admin on Mon Mar 31 23:04:38 GMT 2025 , Edited by admin on Mon Mar 31 23:04:38 GMT 2025

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APREMILAST

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