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Thiosulfuric acid

HCID 24478
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基本情報概要名称と識別子物性化学と産業関連反応化合物ノート
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基本情報

CAS
13686-28-7
標準SMILES
O=S(O)(O)=S
InChIKey
DHCDFWKWKRSZHF-UHFFFAOYSA-N
分子式
H2O3S2
平均分子量
114.15 g/mol
単同位体質量
113.94453627

概要

Sulfurothioic S-acid is a thiosulfuric acid. It has a role as a mouse metabolite. It is a conjugate acid of a hydroxidodioxidosulfidosulfate(1-). It is a tautomer of a sulfurothioic O-acid.

名称と識別子

優先名称
Thiosulfuric acid
IUPAC
sulfurothioic O-acid

名称と別名

Thiosulfuric acid13686-28-7UNII-7K79Y2EKKP7K79Y2EKKPMonosulfanemonosulfonic acidThiosulfuric acid (H2S2O3)DTXSID00159981sulfurothioic acidRefChem:6306DTXCID2082472CHEBI:33540sulfurothioic O-acid
名称をさらに表示
sulfurothioic S-aciddihydroxidooxidosulfidosulfurH2S2O3mercaptosulfonic acidSulfurothioic O,S-acidSCHEMBL3742SCHEMBL3743hydroxidodioxidosulfanidosulfur

データベース識別子

CAS
13686-28-7、14383-50-7
PubChem CID
24478
DTXSID
DTXSID00159981
ChEMBL
CHEMBL1208642
ChEBI
CHEBI:5587
UNII
7K79Y2EKKP
Nikkaji
J221.613B

物性

構造計算による物性

XLogP
0.3
極性表面積
98 Ų
水素結合供与体数
2
水素結合受容体数
4
回転可能結合数
0
重原子数
5
形式電荷
0
複雑度
98.1

実験および物理化学的性質

Solubility861 mg/mL
Boiling Point100°C
Melting Point48 °C
Physical DescriptionSolid

化学と産業

薬理情報

Protein BindingSodium thiosulfate does not bind to human plasma proteins.
Pharmacodynamics · 1 件

Sodium thiosulfate doses of 20, 15 and 10 g/m<sup>2</sup> deliver sodium loads of 162, 121 and 81 mmol/m<sup>2</sup>. One hour after infusion, the administration of sodium thiosulfate causes a transient increase in sodium of approximately 6 mmol/L; however, levels return to baseline 18 to 24 hours after infusion. The pharmacodynamics of sodium thiosulfate as an antidote for the treatment of acute cyanide poisoning were evaluated by measuring the rate of conversion of cyanide to thiocyanate. Pretreatment with sodium thiosulfate to achieve a steady state level of 2 µmol/mL increased the rate of conversion of cyanide to thiocyanate over 30-fold in dogs. The use of sodium thiosulfate may cause hypersensitivity reactions and lead to hypernatremia and hypokalemia. It may also lead to nausea and vomiting.

Mechanism of Action · 1 件

When administered with sodium nitrate, sodium thiosulfate acts as an antidote for the treatment of acute cyanide poisoning. Cyanide has a high affinity for cytochrome a3, a component of the cytochrome c oxidase complex in mitochondria. By binding and inhibiting cytochrome a3, cyanide prevents cells from using oxygen and forces anaerobic metabolism, inhibiting cellular respiration and resulting in lactic acidosis and cytotoxic hypoxia. Sodium nitrite reacts with hemoglobin to form methemoglobin, which competes with cytochrome a3 for the cyanide ion. Cyanide binds to methemoglobin to form cyanmethemoglobin, a nontoxic compound, and restore cytochrome oxidase activity. When cyanide dissociates from methemoglobin, sodium thiosulfate acts as a sulfur donor for the endogenous sulfur transferase enzyme and facilitates its conversion to thiocyanate, a less toxic ion. Sodium thiosulfate can also reduce the risk of ototoxicity associated with cisplatin. Pediatric patients treated with cisplatin have a high risk of developing ototoxicity, possibly due to a combination of reactive oxygen species (ROS) production and direct alkylation of DNA that leads to cell death. Sodium thiosulfate interacts with cisplatin to form inactive platinum species. It can also enter cells via the sodium sulfate cotransporter 2 to increase antioxidant glutathione levels and inhibit intracellular oxidative stress. Although a mechanism of action has not been fully elucidated, both activities are thought to reduce the risk of ototoxicity.

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化合物ノート

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このページの内容基本情報概要名称と識別子物性化学と産業関連反応化合物ノート
Biological Half-Life · 1 件

The half-life of thiosulfate administered intravenously (1 g sodium thiosulfate) was approximately 20 minutes. However, higher doses may increase this value. In healthy men given 150 mg/kg of sodium thiosulfate, the elimination half-life was 182 minutes.

Metabolism/MetabolitesThiosulfate sulfur transferase and thiosulfate reductase metabolize thiosulfate to form sulfite, which is oxidized to sulfate.
FDA Pharmacological Classification · 4 件

7K79Y2EKKP

THIOSULFURIC ACID

Established Pharmacologic Class [EPC] - Antidote

Thiosulfuric acid is an Antidote.

Absorption, Distribution and Excretion · 4 件

Sodium thiosulfate taken orally is not systemically absorbed. Most of the thiosulfate is oxidized to sulfate or is incorporated into endogenous sulphur compounds; a small proportion is excreted through the kidneys. In pediatric patients given the recommended intravenous dose of sodium thiosulfate, the Cmax of thiosulfate was 13 ± 1.2 mM, and increased proportionally to dose over the range of 4 g/m2 to 20 g/m2. Thiosulfate accumulation is not expected following the intravenous administration of sodium thiosulfate on 2 consecutive days.

Approximately 20-50% of exogenously administered sodium thiosulfate is eliminated by the kidneys. More than 95% of the thiosulfate eliminated in urine is excreted within the first 4 hours after administration. When used as an antidote to cyanide poisoning, sodium thiosulfate is eliminated as thiocyanate, a relatively nontoxic compound. Thiocyanate is also excreted in urine at a rate inversely proportional to creatinine clearance.

Thiosulfate has a mean volume of distribution of 0.23 L/kg.

In patients with fully developed renal function (1 year old approximately), the mean total clearance of thiosulfate is 2.2 mL/min/kg.

Tissue LocationsEpidermis
Cellular LocationsExtracellular