Molecular Identity
Dichloroacetate
2,2-dichloroacetate
PubChem CID: 25975
Dichloroacetate is a monocarboxylic acid anion that is the conjugate base of dichloroacetic acid. It has a role as a geroprotector. It is functionally related to an acetate. It is a conjugate base of a dichloroacetic acid.
2D Structure
Properties
C2HCl2O2-
Molecular Formula
127.93
Molecular Weight
g/mol
126.9354
Exact Mass
Da
1.8
XLogP
Drug-like (Lipinski: < 5)
40.1
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
2
H-Bond Acceptors
55
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Dichloroacetate13425-80-4DichloracetateDichloroacetate ionDichloroacetic acid ion(1-)CHEBI:28240DTXSID40158610Dichloroacetate anionRefChem:1083416DTXCID80811012,2-dichloroacetateBRN 3903873Ion Chromatography Standard: Dichloroacetate @ 500 microg/mL in H2OAcetic acid, 2,?2-?dichloro-?, ion(1-?); Acetic acid, dichloro-, ion(1-) (8CI,9CI); 2,2-Dichloroacetate; Dichloroacetate anion; Dichloroacetate ion; Dichloroacetate ion(1-)2q8h
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Dichloroacetate
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