[[3-[[(3-ソジオオキシカルボニル-2,2,3-トリメチルシクロペンチル)カルボニル]アミノ]-2-メトキシプロピル]メルクリオ(II)チオ]酢酸ナトリウム

Mercaptomerin sodium

HCID 30556CAS 21259-76-7

基本情報

標準SMILES
COC(CNC(=O)C1CCC(C)(C(=O)[O-])C1(C)C)[CH2][Hg][S]CC(=O)[O-].[Na+].[Na+]
InChIKey
RQXWFEXQGWCOGQ-UHFFFAOYSA-K
分子式
C16H25HgNNa2O6S
平均分子量
606 g/mol
単同位体質量
607.09044008

概要

Mercaptomerin is an organomercuric compound. Mercury is a heavy, silvery d-block metal and one of six elements that are liquid at or near room temperature and pressure. It is a naturally occuring substance, and combines with other elements such as chlorine, sulfur, or oxygen to form inorganic mercury compounds (salts). Mercury also combines with carbon to make organic mercury compounds. (L1)

名称と識別子

優先名称
Mercaptomerin sodium
IUPAC
disodium;carboxylatomethylsulfanyl-[3-[(3-carboxylato-2,2,3-trimethylcyclopentanecarbonyl)amino]-2-methoxypropyl]mercury
現地名
[[3-[[(3-ソジオオキシカルボニル-2,2,3-トリメチルシクロペンチル)カルボニル]アミノ]-2-メトキシプロピル]メルクリオ(II)チオ]酢酸ナトリウム
英語名
mercaptomerin sodium
分子式
C16H25HgNO6S.2Na
分子量
606.01

名称と別名

MERCAPTOMERIN SODIUM21259-76-706U2KLM373DTXSID801016486Mercury, (3-(((3-carboxy-2,2,3-trimethylcyclopentyl)carbonyl)amino)-2-methoxypropyl)(mercaptoacetato-S)-, disodium saltDisodium N-(3-(carboxymethylthiomercuri)-2-methoxypropyl)-alpha-camphoramateN-(gamma-Carboxymethylmercaptomercuri-beta-methoxy)propylcamphoramic acid disodium saltRefChem:156557DTXCID001474676244-298-2Letorindisodium;carboxylatomethylsulfanyl-[3-[(3-carboxylato-2,2,3-trimethylcyclopentanecarbonyl)amino]-2-methoxypropyl]mercury
名称をさらに表示
メルカプトメリンナトリウム[[3-[[(3-ソジオオキシカルボニル-2,2,3-トリメチルシクロペンチル)カルボニル]アミノ]-2-メトキシプロピル]メルクリオ(II)チオ]酢酸ナトリウムナトリウム 3-{[2-メトキシ-3-({[2-オキソ-2-(ソジオオキシ)エチル]スルファニル}メルクリオ)プロピル]カルバモイル}-1,2,2-トリメチルシクロペンタン-1-カルボキシラートThiomerin sodiumDiucardyn sodiumMercaptomerine sodique[[3-[[(3-Sodiooxycarbonyl-2,2,3-trimethylcyclopentyl)carbonyl]amino]-2-methoxypropyl]mercurio(II)thio]acetic acid sodium saltMercurate(2-), [3-[[(3-carboxylato-2,2,3-trimethylcyclopentyl)carbonyl-κO]amino]-2-methoxypropyl-κC][2-(mercapto-κS)acetato(2-)-κO]-, sodium (1:2), (T-4)-
(3-(3-Carboxy-2,2,3-trimethylcyclopentanecarboxamido)-2-methoxypropyl)(hydrogen mercaptoacetato)mercury disodium salt[3-(3-Carboxy-2,2,3-trimethylcyclopentanecarboxamido)-2-methoxypropyl](hydrogen mercaptoacetato)mercury disodium saltEINECS 244-298-2Mercaptomerin sodium [USP]SCHEMBL309517UNII-06U2KLM373MERCAPTOMERIN SODIUM [MI]MERCAPTOMERIN SODIUM [WHO-DD]

データベース識別子

CAS
21259-76-7
PubChem CID
30556
DTXSID
DTXSID801016486
UNII
06U2KLM373
EC Number
244-298-2

物性

構造計算による物性

極性表面積
144 Ų
水素結合供与体数
1
水素結合受容体数
7
回転可能結合数
7
重原子数
27

物理化学的性質

融点
150 · 150-155 °C (decomp)
CAS データベース
21259 · 21259-76-7

安全と法規制

安全と保護具

Minimum Risk LevelChronic Inhalation: 0.0002 mg/m3 (L134)

毒性情報

TreatmentMercury poisoning is treated by immediate decontamination and chelation therapy using DMSA, DMPS, DPCN, or dimercaprol. (A7)
Health Effects · 1 件

Mercury mainly affects the nervous system. Exposure to high levels of metallic, inorganic, or organic mercury can permanently damage the brain, kidneys, and developing fetus. Effects on brain functioning may result in irritability, shyness, tremors, changes in vision or hearing, and memory problems. Acrodynia, a type of mercury poisoning in children, is characterized by pain and pink discoloration of the hands and feet. Mercury poisoning can also cause Hunter-Russell syndrome and Minamata disease. (L7)

Exposure RoutesOral (L7) ; inhalation (L7) ; dermal (L7)
Toxicity Summary · 1 件

High-affinity binding of the divalent mercuric ion to thiol or sulfhydryl groups of proteins is believed to be the major mechanism for the activity of mercury. Through alterations in intracellular thiol status, mercury can promote oxidative stress, lipid peroxidation, mitochondrial dysfunction, and changes in heme metabolism. Mercury is known to bind to microsomal and mitochondrial enzymes, resulting in cell injury and death. For example, mercury is known to inhibit aquaporins, halting water flow across the cell membrane. It also inhibits the protein LCK, which causes decreased T-cell signalling and immune system depression. Mercury is also believed to inhibit neuronal excitability by acting on the postsynaptic neuronal membrane. It also affects the nervous system by inhibiting protein kinase C and alkaline phosphatase, which impairs brain microvascular formation and function, as well as alters the blood-brain barrier. Organic mercury exerts developmental effects by binding to tubulin, preventing microtubule assembly and causing mitotic inhibition. Mercury also produces an autoimmune response, likely by modification of major histocompatibility complex (MHC) class II molecules, self peptides, T-cell receptors, or cell-surface adhesion molecules. (L7, A8, A25, A26)

Signs and SymptomsCommon symptoms include peripheral neuropathy (presenting as paresthesia or itching, burning or pain), skin discoloration (pink cheeks, fingertips and toes), edema (swelling), and desquamation (dead skin peels off in layers). (A5)
Carcinogen ClassificationNo indication of carcinogenicity (not listed by IARC). (L135)

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

Organic mercury is absorbed mainly by the gastrointestinal tract, then distributed throughout the body via the bloodstream. Organic mercury complexes with free cysteine and the cysteine and sulfhydryl groups on proteins such as haemoglobin. These complexes are able to mimic methionine and thus be transported throughout the body, including through the blood-brain barrier and placenta. Organic mercury is metabolized into inorganic mercury, which is eventually excreted in the urine and faeces. (T11)

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