1,3-Propanedisulfonic acid

HCID 428573CAS 21668-77-9

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

Eprodisate21668-77-91,3-Propanedisulfonic acidPropane-1,3-disulfonateEprodisatoPropane-1,3-disulphonate6QFP76V7S7eprodisatumRefChem:590996propane-1,3-disulfonic acid1,3-Propanedisulfonic Acid (50-60% in Water)Eprodisate [INN]
Show more names
(50-60% in Water)propane-1,3-disulfonicaciDISODIUM 1,3-PROPANEDISULFONATE1,3-Propanedisulfonic Acid DISODIUM 1,3-PROPANEDISULPHONATEDISODIUM PROPANE-1,3-DISULFONATE1,3-PROPANEDISULFONIC ACID DISODIUM SALT
MFCD00191482starbld000931250-60% in Water1,3-propanesulfonic acid1,3-propanedisulphonic acidEPRODISATE [WHO-DD]UNII-6QFP76V7S7SCHEMBL34216

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

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)

Safety & regulation

GHS classification

GHS Classification · 5 items

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

Hazard Classes and CategoriesAcute Tox. 4 (88.4%);Acute Tox. 4 (88.4%);Skin Corr. 1B (100%);Acute Tox. 4 (88.4%)

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

Chemistry & industry

Pharmacology

Mechanism of Action · 1 item

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

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

1 records

Linked notes

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