Molecular Identity
Docusate
1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonic acid
PubChem CID: 11339
1,4-bis(2-ethylhexyl) sulfosuccinate is an organosulfonic acid and a diester.
2D Structure
Properties
C20H38O7S
Molecular Formula
422.60
Molecular Weight
g/mol
422.2338
Exact Mass
Da
5.1
XLogP
Above Lipinski threshold
115
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
539
Complexity
SMILES
Canonical SMILES
SMILES: CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)OIsomeric SMILES
SMILES: CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)OSynonyms(20)
DOCUSATEDocusate hydrogen10041-19-7Spolion 8DioctoDioctylsulfosuccinsaeureDocusatesDIOCTYLSULFOSUCCINATEM7P27195AGDTXSID1044279Butanedioic acid, 2-sulfo-, 1,4-bis(2-ethylhexyl) ester1,4-Bis(2-ethylhexyloxy)-1,4-dioxo-2-butansulfonsaeure [IUPAC]1,4-Bis(2-ethylhexyloxy)-1,4-dioxo-2-butansulfonsaeure (IUPAC)DocQLaceSulfosuccinate, Dioctyl
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Docusate
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