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Details

Stereochemistry ACHIRAL
Molecular Formula Mg.O3S2.6H2O
Molecular Weight 244.525
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MAGNESIUM THIOSULFATE HEXAHYDRATE

SMILES

O.O.O.O.O.O.[Mg++].[O-]S([S-])(=O)=O

InChI

InChIKey=CQDMJJVHDPDPHO-UHFFFAOYSA-L
InChI=1S/Mg.H2O3S2.6H2O/c;1-5(2,3)4;;;;;;/h;(H2,1,2,3,4);6*1H2/q+2;;;;;;;/p-2

HIDE SMILES / InChI

Molecular Formula H2O3S2
Molecular Weight 114.144
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Mg
Molecular Weight 24.305
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Sodium thiosulfate (sodium thiosulphate/STS) is a chemical and medication. As a medication, it is used in combination with sodium nitrite under the trade name to NITHIODOTE treat cyanide poisoning. The primary route of endogenous cyanide detoxification is by enzymatic transulfuration to thiocyanate (SCN- ), which is relatively nontoxic and readily excreted in the urine. Sodium thiosulfate is thought to serve as a sulfur donor in the reaction catalyzed by the enzyme rhodanese, thus enhancing the endogenous detoxification of cyanide. In addition, Sodium thiosulfate is used in calciphylaxis in hemodialysis patients with end-stage kidney disease. Calciphylaxis is vasculopathy characterized by ischemia and painful skin necrosis due to calcification and intimal fibroplasia of thrombosis of the panicular arterioles. Sodium thiosulfate is used as treatment due to its antioxidant activity and as a chelating. Sodium thiosulfate renders renal protection by modulating the mitochondrial KATP channel for preventing urolithiasis. Moreover, STS was assumed to play a vital role in on ischemia reperfusion injury (IR). The effectiveness of STS as a cardioprotective agent was attributed to the reduction of apoptosis by binding to the active site of caspase-3 in silico, which was substantiated by the reduced expression of caspase-3 and poly ADP ribose polymerase levels.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P42574
Gene ID: 836.0
Gene Symbol: CASP3
Target Organism: Homo sapiens (Human)
Target ID: Q15842
Gene ID: 3764.0
Gene Symbol: KCNJ8
Target Organism: Homo sapiens (Human)
Target ID: Q14654
Gene ID: 3767.0
Gene Symbol: KCNJ11
Target Organism: Homo sapiens (Human)
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Curative
NITHIODOTE

Approved Use

Sodium nitrite and sodium thiosulfate are indicated for sequential use for treatment of acute cyanide poisoning that is judged to be lifethreatening. Use with caution if the diagnosis of cyanide poisoning is uncertain.

Launch Date

2011
Palliative
Unknown

Approved Use

Unknown
Preventing
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
Bactericidal activities of commonly used antiseptics against multidrug-resistant mycobacterium tuberculosis.
2002
Patents

Sample Use Guides

acute cyanide intoxication: Adults: 1.) Sodium Nitrite -10 mL of a 3% solution (300 mg) of sodium nitrite at the rate of 2.5 to 5 mL/minute 2.) Sodium Thiosulfate - 50 mL of a 25% solution (12.5 g) of a sodium thiosulfate solution immediately following administration of sodium nitrite. Children: 1.) Sodium Nitrite -0.2 mL/kg of a 3% solution (6 mg/kg or 6-8 mL/m2 BSA) of sodium nitrite at the rate of 2.5 to 5 mL/minute not to exceed 10 mL (300 mg) 2.) Sodium Thiosulfate - 1 mL/kg of body weight using a 25% solution (250 mg/kg or approximately 30-40 mL/m2 of BSA) not to exceed 50 mL (12.5 g) total dose immediately following administration of sodium nitrite.
Route of Administration: Intravenous
There were investigated the effectiveness of Sodium thiosulfate (STS) as a cardioprotective agent is attributed to the reduction of apoptosis by binding to the active site of caspase-3 in silico, which was substantiated by the reduced expression of caspase-3 and poly ADP ribose polymerase levels. STS of 1 mM recovered H9C2 cells from glucose oxidase/catalase-induced apoptosis. The isolated rat heart treated with STS prior to reperfusion injury (IR) injury improved its hemodynamics and reduced the infarct size to 9%. An in silico docking analysis revealed higher binding affinity of STS for caspase-3 with a binding energy of - 60.523 kcal/mol for the complex.
Substance Class Chemical
Created
by admin
on Fri Dec 15 20:40:35 GMT 2023
Edited
by admin
on Fri Dec 15 20:40:35 GMT 2023
Record UNII
59481J5EHA
Record Status Validated (UNII)
Record Version
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Name Type Language
MAGNESIUM THIOSULFATE HEXAHYDRATE
MI  
Systematic Name English
MAGNESIUM THIOSULFATE, HEXAHYDRATE
Systematic Name English
THIOSULFURIC ACID, MAGNESIUM SALT (1:1), HEXAHYDRATE
Common Name English
MAGNESIUM THIOSULFATE HEXAHYDRATE [MI]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID30158725
Created by admin on Fri Dec 15 20:40:35 GMT 2023 , Edited by admin on Fri Dec 15 20:40:35 GMT 2023
PRIMARY
MERCK INDEX
m7028
Created by admin on Fri Dec 15 20:40:35 GMT 2023 , Edited by admin on Fri Dec 15 20:40:35 GMT 2023
PRIMARY Merck Index
PUBCHEM
26002
Created by admin on Fri Dec 15 20:40:35 GMT 2023 , Edited by admin on Fri Dec 15 20:40:35 GMT 2023
PRIMARY
CAS
13446-30-5
Created by admin on Fri Dec 15 20:40:35 GMT 2023 , Edited by admin on Fri Dec 15 20:40:35 GMT 2023
PRIMARY
FDA UNII
59481J5EHA
Created by admin on Fri Dec 15 20:40:35 GMT 2023 , Edited by admin on Fri Dec 15 20:40:35 GMT 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE