Details of the Drug Metabolite (DM)

General Information of Drug Metabolite (DM) (ID: DM003342)
DM Name
Ethacrynic acid-GSH
Synonyms SCHEMBL16507499
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 466.3 Topological Polar Surface Area 131
Heavy Atom Count 29 Rotatable Bond Count 9
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 8
PubChem CID
71777285
Complexity
518
Formula
C18H21Cl2NO7S
Canonical SMILES
CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)Cl.CC(=O)NC(CS)C(=O)O
InChI
InChI=1S/C13H12Cl2O4.C5H9NO3S/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17;1-3(7)6-4(2-10)5(8)9/h4-5H,2-3,6H2,1H3,(H,16,17);4,10H,2H2,1H3,(H,6,7)(H,8,9)/t;4-/m.0/s1
InChIKey
XCWNPKYDQAZJHO-VWMHFEHESA-N
IUPAC name
(2R)-2-acetamido-3-sulfanylpropanoic acid;2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid
Full List of Drug(s) That Produce This DM By Metabolism
MK-0859 DR1884 Phase 3 Atherosclerosis

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