Grundinformationen
- Standard-SMILES
O=S(=O)(O)CCCS(=O)(=O)O- InChIKey
MGNVWUDMMXZUDI-UHFFFAOYSA-N- Summenformel
- C3H8O6S2
- Durchschnittliche Molmasse
- 204,2 g/mol
- Monoisotopische Masse
- 203,97623032
Namen und Bezeichner
- Bevorzugter Name
- 1,3-Propanedisulfonic acid
- IUPAC
- propane-1,3-disulfonic acid
- Englischer Name
- Eprodisate
- Summenformel
- C3H8O6S2
- Molmasse
- 204.22
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
21668-77-9- PubChem CID
- 428573
- DTXSID
DTXSID4048301- ChEMBL
CHEMBL2111092- UNII
- 6QFP76V7S7
- EC Number
- 679-154-1
- Nikkaji
- J534.155H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,6
- Polarare Oberfläche (TPSA)
- 126 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 254
Physikochemische Eigenschaften
- Schmelzpunkt
- 120 · 120-124 ºC
- Siedepunkt
- 157 °C · 157 °C(Press: 1.4 Torr)
- Dichte
- 1.33 · 1.33
- Brechungsindex
- 1.422 · 1.4220
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- 125 mg/mL · DMSO: ≥ 125 mg/mL (612.09 mM)
- pka
- 1.21 · 1.21±0.50(Predicted)
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Light yellow
- InChI
- InChI=1S/C3H8O6S2/c4-10(5,6)2-1-3-11(7,8)9/h1-3H2,(H,4,5,6)(H,7,8,9)
- InChIKey
- MGNVWUDMMXZUDI-UHFFFAOYSA-N
- SMILES
- C(S(O)(=O)=O)CCS(O)(=O)=O
- CAS Datenbank
- 21668 · 21668-77-9(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (88.4%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (88.4%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H332 (88.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- ridadr
- 3265
- hs_code
- 2904.10.5000
- risk_code
- 36/37/38-34-20/21/22
- hazard_code
- Xi,C
- safety_code
- 26-36-45-36/37/39-27
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
Chemie und Industrie
Pharmakologische Informationen
Mechanism of Action
Decline in renal function associated with Amyloid A (AA) amyloidosis can be slowed by eprodisate (Kiacta), a drug that inhibits the deposit of the complex protein in tissues. AA amyloidosis is a serious, frequently fatal disorder involving deposits of amyloid fibrils in various organs and tissues. It is a complication of many chronic inflammatory disorders, but little is known about its etiology or natural history. Eprodisate delays the progression of AA amyloidosis-associated renal disease.
Anwendungen
VerwendenTreatment of secondary (AA) amyloidosis.
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