Basic information
- Standard SMILES
O=S(=O)(O)CCCS(=O)(=O)O- InChIKey
MGNVWUDMMXZUDI-UHFFFAOYSA-N- Molecular formula
- C3H8O6S2
- Average molar mass
- 204.2 g/mol
- Monoisotopic mass
- 203.97623032
Names & identifiers
- Preferred name
- 1,3-Propanedisulfonic acid
- IUPAC
- propane-1,3-disulfonic acid
- English name
- Eprodisate
- Molecular formula
- C3H8O6S2
- Molecular weight
- 204.22
Names & synonyms
Show more names
Database identifiers
- CAS
21668-77-9- PubChem CID
- 428573
- DTXSID
DTXSID4048301- ChEMBL
CHEMBL2111092- UNII
- 6QFP76V7S7
- EC Number
- 679-154-1
- Nikkaji
- J534.155H
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Melting point
- 120 · 120-124 ºC
- Boiling point
- 157 °C · 157 °C(Press: 1.4 Torr)
- Density
- 1.33 · 1.33
- refractive index
- 1.422 · 1.4220
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 125 mg/mL · DMSO: ≥ 125 mg/mL (612.09 mM)
- pka
- 1.21 · 1.21±0.50(Predicted)
- form
- clear liquid
- color
- 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 DataBase Reference
- 21668 · 21668-77-9(CAS DataBase Reference)
- FDA UNII
- 6 QFP76V7S7 · 6QFP76V7S7
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
- Hazard Codes
- Xi,C
- Risk Statements
- 36 · 36/37/38-34-20/21/22
- Safety Statements
- 26 · 26-36-45-36/37/39-27
- RIDADR
- 3265 · 3265
- WGK Germany
- 3 · 3
- HS Code
- 2904.1 · 2904.10.5000
- HazardClass
- 8 · 8
- PackingGroup
- III
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 Skin · Eye Dam. 1Skin Corr. 1B
Safety & regulation
GHS classification
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.
Hazard information
Safety data
- wgk
- 3
- ridadr
- 3265
- hs_code
- 2904.10.5000
- risk_code
- 36/37/38-34-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi,C
- safety_code
- 26-36-45-36/37/39-27
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
Chemistry & industry
Pharmacology
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.
Applications
UsesTreatment of secondary (AA) amyloidosis.
Suppliers43 total
Related reactions
Linked notes
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