1,4-Bis(2-ethylhexyl)-2-sulfosuccinat

Docusate hydrogen · Dioctyl Sulfosuccinic Acid · Bis(2-ethylhexyl)sulfosuccinate · BIS(2-ETHYLHEXYL)SULPHOSUCCINATE · 1,4-bis(2-ethylhexyl) 2-sulphosuccinate · SULPHOSUCCINICACID,BIS(2-ETHYLHEXYL)ESTER · Sulfosuccinic acid 1,4-bis(2-ethylhexyl) ester · Butanedioic acid,sulfo-,1,4-bis(2-ethylhexyl)ester

https://huagongshe.com/de/chemical/11339

Molekülstruktur von 1,4-Bis(2-ethylhexyl)-2-sulfosuccinat

Identifikatoren & physikalische Daten

CAS No.	10041-19-7
Summenformel	C20H38O7S
Durchschnittliche Molmasse	422,6 g/mol
Monoisotopische Masse	422,23382456 g/mol
SMILES	CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O
InChIKey	HNSDLXPSAYFUHK-UHFFFAOYSA-N
PubChem CID	11339
ChEMBL	CHEMBL1477036
ChEBI	CHEBI:534
EC No.	233-124-0
DTXSID	DTXSID1044279
Lokaler Name	1,4-Bis(2-ethylhexyl)-2-sulfosuccinat

Chemische & physikalische Eigenschaften

XLogP	5,1
Polarare Oberfläche (TPSA)	115
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	7
Frei drehbare Bindungen	18
Schwere Atome	28
Formalladung	0
Komplexität	539
Stoffklassen	Other Uses -> Emulsifiers/SurfactantsIndustrial compound
Arzneimittel	Pharmaceuticals
Lipide	Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Löslichkeit	Soluble
Human Drugs	Breast FeedingLactationMilk, HumanGastrointestinal AgentsLaxativesSurface-Active Agents
Schmelzpunkt	153-157
Collision Cross Section	206.1 Å² [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID8022959]
Dichte	1.096±0.06 g/cm3(Predicted)
pKa (Säurekonstante)	0.08±0.50(Predicted)
EPA chemische Informationen	Butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl) ester (10041-19-7)

Sicherheit & Vorschriften

Regulatorische Informationen	Chemical: Butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl) ester
Gefahrenübersicht	No evidence of teratogenicity in rats or humansOne case report of hypomagnesemia associated with maternal excessive/chronic use of laxatives by the mother[REPROTOX] See Docusate sodium.
Hepatotoxicity	Docusate has not been linked to elevations in serum enzyme levels during treatment, although there have been few published studies of its effects of liver tests. There have been no cases of clinically apparent liver injury attributable to docusate published in the literature and, thus, significant liver injury from docusate must be exceedingly rare, if it occurs at all.
Unerwünschte Wirkungen	The adverse effects of docusate are generally mild. Anorexia, diarrhea, and vomiting are usually associated with excess doses of docusate medication. Some people may experience abdominal cramping or, rarely, develop a rash as adverse reactions to docusate.
Toxizitätsübersicht	Docusate has a well-documented safety and tolerability profile and has been in use in the United States since the 1950s. Animal studies have demonstrated that docusate sodium ear drops can cause significant ototoxicity. Therefore, docusate ear drops should be avoided in patients with tympanic membrane perforation.
Drug Induced Liver Injury	Drug-Induced Liver Injury Severity and Toxicity (DILIst)DocusateDILI NegativeoralDOI:10.1016/j.drudis.2019.09.022
Effects During Pregnancy and Lactation	◉ Summary of Use during Lactation
TSCA-Inventar-Status	TSCA listed

Anwendungen & Verwendung

Verwenden

Stool softener.