Ethacrynic Acid Mercapturate (Mixture of diastereomers)
Product Code
TRC-E676020-25MG
CAS Number
Product Format
Neat
Molecular Formula
C18H21Cl2NO7S
Molecular Weight
466.33
Product Categories
Product Type
MetaboliteDocumentation
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Product Information
Chemical Data
Analyte Name
Ethacrynic Acid Mercapturate
CAS Number
54546-23-5
Molecular Formula
C18H21Cl2NO7S
Molecular Weight
466.33
Accurate Mass
465.04
SMILES
C(C(CSC[C@H](NC(C)=O)C(O)=O)CC)(=O)C1=C(Cl)C(Cl)=C(OCC(O)=O)C=C1
InChI
InChI=1S/C18H21Cl2NO7S/c1-3-10(7-29-8-12(18(26)27)21-9(2)22)17(25)11-4-5-13(16(20)15(11)19)28-6-14(23)24/h4-5,10,12H,3,6-8H2,1-2H3,(H,21,22)(H,23,24)(H,26,27)/t10?,12-/m0/s1
IUPAC
N-acetyl-S-(2-(4-(carboxymethoxy)-2,3-dichlorobenzoyl)butyl)-L-cysteine
Product Data
Storage Temperature
+4°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat