CAS 4468-02-4 Bis(D-gluconato-O1,O2)zinc (HCID 20543)

部分構造検索類似構造を探す

基本情報

CAS: 4468-02-4
標準SMILES: O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Zn]
InChIKey: ZSKINHGFQOKUDM-IYEMJOQQSA-N
分子式: C12H24O14Zn
平均分子量: 457.7 g/mol
単同位体質量: 456.045747

概要

Zinc(II) gluconate is a dietary zinc supplement.

名称と識別子

優先名称: Bis(D-gluconato-O1,O2)zinc
IUPAC: bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid);zinc
現地名: グルコン酸亜鉛(ＩＩ)水和物
英語名: Zinc gluconate
分子式: C12H22O14Zn
分子量: 455.69

名称と別名

Bis(D-gluconato-O1,O2)zincRefChem:569037Zinc(II) Gluconate Hydrategluconate zincPleo zincHelshas ZnZinc VerlaGivobio G ZnBioZn-AASUNII-U6WSN5SQ1ZZinc bis(D-gluconato-O1,O2)HSDB 1054

名称をさらに表示

グルコン酸亜鉛(ＩＩ)水和物ビス(D-グルコン酸)亜鉛グルコン酸亜鉛グルコン酸亜鉛N水和物グルコン酸亜鉛, 97%{[(2R,3S,4R,5R)-2,3,4,5,6-ペンタヒドロキシヘキサノイル]オキシ}ジンシオ (2R,3S,4R,5R)-2,3,4,5,6-ペンタヒドロキシヘキサノアート(T-4)-ビス(D-グルコナト-κO1,κO2)亜鉛(II)RubozincZinc gluconatZinc dihexonatezinc(ii) gluconaterubozineAids002622Aids-002622Zinc complex

Zinc, bis(D-gluconato-O1,O2)-EINECS 224-736-9Bis(D-gluconato-O(sup 1),O(sup 2))zincBis(D-gluconato-O(sup 1),O(sup 2)) zincZinc, bis(D-gluconato-O(sup 1),O(sup 2))-Bis(D-gluconato-O1,O2) zinc (2) zinc D-gluconate (1:2)

データベース識別子

物性

構造計算による物性

極性表面積: 277 Å²
水素結合供与体数: 12
水素結合受容体数: 14
回転可能結合数: 10
重原子数: 27
形式電荷: 0
複雑度: 385

実験および物理化学的性質

CosmeticsDeodorant; Skin conditioning

物理化学的性質

融点: 172 · 172-175 °C
沸点: 319 °C · 319°C
比重(密度): 1.44 · 1.44[at 20℃]
蒸気圧: 0 Pa · 0Pa at 20℃
貯蔵温度: -20 °C · Store at -20°C
溶解性: 水に溶け、無水エタノールおよび塩化メチレンにほとんど溶けない。
外見: powder to crystal
色: White to Almost white
水溶解度: 100 g/lに可溶。 · 水100g/lに可溶。
Merck: 14 · 14,4456
化粧品成分の機能: 口腔ケア抗菌剤スキンコンディショニングデオドラント
InChI: InChI=1/2C6H12O7.Zn/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+,5-;/s3
InChIKey: WHMDKBIGKVEYHS-ATBKJFGMNA-L
SMILES: [C@H](O)([C@H](O)[C@H](O)CO)[C@@H](O)C(=O)O[Zn]OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO |&1:0,2,4,8,17,19,21,23,r|
LogP: -7.41 at · -7.41 at 20℃
CAS データベース

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 14.7% (39 of 266) of reports.

Danger

H318 (81.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P273, P280, P305+P354+P338, P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 266 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationREACH registered substance: Bis(D-gluconato-O1,O2)zinc (EC: 224-736-9)

Hazard Classes and CategoriesEye Dam. 1 (81.6%)

安全と保護具

Minimum Risk LevelIntermediate Oral: 0.3 mg/kg/day (L134) Chronic Oral: 0.3 mg/kg/day (L134)

毒性情報

TreatmentZinc poisoning is treated symptomatically, often by administering fluids such as water or milk, or with gastric lavage. (L49)

Health EffectsChronic exposure to zinc causes anemia, atazia, lethargy, and decreases the level of good cholesterol in the body. It is also believed to cause pancreatic and reproductive damage. (L49)

Exposure RoutesInhalation (L49) ; oral (L49) ; dermal (L49)

Toxicity Summary · 1 件

Anaemia results from the excessive absorption of zinc suppressing copper and iron absorption, most likely through competitive binding of intestinal mucosal cells. Unbalanced levels of copper and zinc binding to Cu,Zn-superoxide dismutase has been linked to amyotrophic lateral sclerosis (ALS). Stomach acid dissolves metallic zinc to give corrosive zinc chloride, which can cause damage to the stomach lining. Metal fume fever is thought to be an immune response to inhaled zinc. (L48, L49, A49)

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

Zinc can enter the body through the lungs, skin, and gastrointestinal tract. Intestinal absorption of zinc is controlled by zinc carrier protein CRIP. Zinc also binds to metallothioneins, which help prevent absorption of excess zinc. Zinc is widely distributed and found in all tissues and tissues fluids, concentrating in the liver, gastrointestinal tract, kidney, skin, lung, brain, heart, and pancreas. In the bloodstream zinc is found bound to carbonic anhydrase in erythrocytes, as well as bound to albumin, _2-macroglobulin, and amino acids in the the plasma. Albumin and amino acid bound zinc can diffuse across tissue membranes. Zinc is excreted in the urine and faeces. (L49)

用途と製造

UsesZinc gluconate is used in dietary supplements. (L66)

Use ClassificationCosmetics -> Deodorant; Skin conditioning

応用分野 · 2 件

用途栄養強化剤などの研究材料。

使用zinc gluconate helps maintain the skin in good condition and acts as a deodorant by preventing the growth of micro-organisms, such as bacteria, fungi or yeast, in a formulation. Zinc gluconate could also be effectively used in anti-acne products.

上流・下流製品情報

上流原料

化合物ノート

読み込み中…

グルコン酸亜鉛(ＩＩ)水和物