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Details

Stereochemistry EPIMERIC
Molecular Formula C16H19Cl2NO6S
Molecular Weight 424.296
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHACRYNIC ACID-CYSTEINE CONJUGATE

SMILES

CCC(CSC[C@H](N)C(O)=O)C(=O)C1=CC=C(OCC(O)=O)C(Cl)=C1Cl

InChI

InChIKey=MBVLLFXKDHUWAH-HTLJXXAVSA-N
InChI=1S/C16H19Cl2NO6S/c1-2-8(6-26-7-10(19)16(23)24)15(22)9-3-4-11(14(18)13(9)17)25-5-12(20)21/h3-4,8,10H,2,5-7,19H2,1H3,(H,20,21)(H,23,24)/t8?,10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H19Cl2NO6S
Molecular Weight 424.296
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 10:45:25 GMT 2025
Edited
by admin
on Wed Apr 02 10:45:25 GMT 2025
Record UNII
FE93CB7QJ8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYSTEINE-ETHACRYNIC ACID
Preferred Name English
ETHACRYNIC ACID-CYSTEINE CONJUGATE
Common Name English
L-CYSTEINE, S-(2-(4-(CARBOXYMETHOXY)-2,3-DICHLOROBENZOYL)BUTYL)-
Common Name English
S-(2-(4-(CARBOXYMETHOXY)-2,3-DICHLOROBENZOYL)BUTYL)-L-CYSTEINE
Common Name English
ETHACRYNIC ACID L-CYSTEINE ADDUCT
Common Name English
(2R)-2-AMINO-3-((3-(4-(CARBOXYMETHOXY)-2,3-DICHLOROPHENYL)-2-ETHYL-3-OXOPROPYL)SULFANYL)PROPANOIC ACID
Systematic Name English
ETHACRYNIC ACID CYSTEINE ADDUCT
Common Name English
Code System Code Type Description
FDA UNII
FE93CB7QJ8
Created by admin on Wed Apr 02 10:45:25 GMT 2025 , Edited by admin on Wed Apr 02 10:45:25 GMT 2025
PRIMARY
CAS
51246-37-8
Created by admin on Wed Apr 02 10:45:25 GMT 2025 , Edited by admin on Wed Apr 02 10:45:25 GMT 2025
PRIMARY
PUBCHEM
71316436
Created by admin on Wed Apr 02 10:45:25 GMT 2025 , Edited by admin on Wed Apr 02 10:45:25 GMT 2025
PRIMARY
EPA CompTox
DTXSID50747716
Created by admin on Wed Apr 02 10:45:25 GMT 2025 , Edited by admin on Wed Apr 02 10:45:25 GMT 2025
PRIMARY
Related Record Type Details
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