2,5-ジヒドロキシベンゼンスルホン酸

2,5-Dihydroxybenzenesulfonic Acid

HCID 17507CAS 88-46-0

部分構造検索類似構造を探す

基本情報

標準SMILES: O=S(=O)(O)c1cc(O)ccc1O
InChIKey: IKQCSJBQLWJEPU-UHFFFAOYSA-N
分子式: C6H6O5S
平均分子量: 190.18 g/mol
単同位体質量: 189.99359446

名称と識別子

優先名称: 2,5-Dihydroxybenzenesulfonic Acid
IUPAC: 2,5-dihydroxybenzenesulfonic acid
現地名: 2,5-ジヒドロキシベンゼンスルホン酸
英語名: 2,5-dihydroxybenzenesulphonic acid
分子式: C6H6O5S
分子量: 190.17

名称と別名

2,5-Dihydroxybenzenesulfonic AcidDobesilic acid88-46-0DobesilateTO0PAT081IDTXSID8045014CHEBI:71157RefChem:58582DTXCID60250142,5 dihydroxybenzenesulfonic acid201-833-42,5-Dihydroxybenzenesulphonic acid

名称をさらに表示

2,5-ジヒドロキシベンゼンスルホン酸2,5-ジヒドロキシベンゼン-1-スルホン酸Dobesilic Acid (Hydroquinonesulfonic Acid)

Hydroquinone sulfonic acidEINECS 201-833-42,5-dihydroxybenzene-1-sulfonic acidHydroquinonesulfonic Acid (Dobesilic Acid)Calcium Dobesilate Impurity 22UNII-TO0PAT081IHYDSULFOPBenzenesulfonic acid, 2,5-dihydroxy-

データベース識別子

CAS: 88-46-0
PubChem CID: 17507
DTXSID: DTXSID8045014
ChEMBL: CHEMBL1232131
ChEBI: CHEBI:71157
UNII: TO0PAT081I
EC Number: 201-833-4
Nikkaji: J799D

物性

構造計算による物性

XLogP: -0.1
極性表面積: 103 Å²
水素結合供与体数: 3
水素結合受容体数: 5
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 241

実験および物理化学的性質

Collision Cross Section131.2 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID8044410]

物理化学的性質

比重(密度): 1.743 · 1.743±0.06 g/cm3(Predicted)
酸解離定数(Pka): -0.51 · -0.51±0.30(Predicted)

安全と法規制

危険有害性情報

Regulatory InformationChemical: Benzenesulfonic acid, 2,5-dihydroxy-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

法規制情報

Regulatory InformationChemical: Benzenesulfonic acid, 2,5-dihydroxy-

化学と産業

薬理情報

MeSH Pharmacological Classification · 1 件

Agents acting to arrest the flow of blood. Absorbable hemostatics arrest bleeding either by the formation of an artificial clot or by providing a mechanical matrix that facilitates clotting when applied directly to the bleeding surface. These agents function more at the capillary level and are not effective at stemming arterial or venous bleeding under any significant intravascular pressure.

上流・下流製品情報

上流原料

1,4-ベンゾキノン

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HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]

補足説明

定義ChEBI: A dihydroxybenzenesulfonic acid that is hydroquinone in which one of the phenyl hydrogens is substituted by a sulfonic acid group.