ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
化工社オープンプロジェクト:[email protected]AIアクセス:llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.7.8
  1. ホーム
  2. /化合物

Tetradecyl hydrogen sulfate (ester)

HCID 8771
ノート反応
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
部分構造検索類似構造を探す

基本情報

CAS
300-52-7
標準SMILES
CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)O
InChIKey
GROJOWHVXQYQGN-UHFFFAOYSA-N
分子式
C14H30O4S
平均分子量
294.45 g/mol
単同位体質量
294.18648061

概要

Tetradecyl sulfonic acid is an alkyl sulfate that is the mono-7-ethyl-2-methylundecan-4-yl ester of sulfuric acid. It is a conjugate acid of a tetradecyl sulfate.

名称と識別子

優先名称
Tetradecyl hydrogen sulfate (ester)
IUPAC
(7-ethyl-2-methylundecan-4-yl) hydrogen sulfate

名称と別名

Tetradecyl hydrogen sulfate (ester)tetradecyl hydrogen sulfate7-Ethyl-2-methyl-4-undecanol sulfatetetradecyl sulfonic acidUNII-6326W0DRHY6326W0DRHYCHEBI:75275TETRADECYL HYDROGEN SULPHATE (ESTER)7-ethyl-2-methyl-4-undecyl hydrogen sulfate7-ETHYL-2-METHYL-4-UNDECANOL SULPHATERefChem:56117300-52-7
名称をさらに表示
7-ethyl-2-methylundecan-4-yl hydrogen sulfate(7-ethyl-2-methylundecan-4-yl) hydrogen sulfateSCHEMBL2369664CHEMBL1201345DTXSID7047015GROJOWHVXQYQGN-UHFFFAOYSA-NEBC-26497DB11328

データベース識別子

CAS
300-52-7
PubChem CID
8771
DTXSID
DTXSID7047015
ChEMBL
CHEMBL1201345
ChEBI
CHEBI:75275
UNII
6326W0DRHY

物性

構造計算による物性

XLogP
5.1
極性表面積
72 Ų
水素結合供与体数
1
水素結合受容体数
4
回転可能結合数
11
重原子数
19
形式電荷
0
複雑度
306

実験および物理化学的性質

Collision Cross Section175.2 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID3041530]

化学と産業

薬理情報

Pharmacodynamics · 1 件

Telangiectasias or varicose veins occur in about 33% of adult women and about 15% of adult men. Sclerotherapy with sotradecol is widely used in the treatment of varicose veins. Sotradecol (sodium tetradecyl sulfate injection) is a sclerosing agent. Intravenous (IV) injection of this agent causes blood vessel intima inflammation and thrombus formation. This normally occludes the injected vein, leading to a series of events. Subsequent formation of fibrous tissue results in partial or complete vein obliteration that may be temporary or permanent.

Mechanism of Action · 1 件

When injected directly into a vein, sodium tetradecyl sulfate causes intimal inflammation and venous thrombus formation, which then results in occlusion of the vein. Following this sequence of events, fibrous tissue forms and causes partial to complete obliteration of the vein, which may be temporary or permanent. An important role of this drug, as well as other sclerosing agents, is to control active hemorrhage and encourage hemostasis. This may be due to the esophageal and vascular smooth muscle spasm induced by the sclerosing agent. During acute and active bleeding, the sodium tetradecyl sulfate injected directly into the esophageal varices may dissipate rapidly, as the varices have a much higher blood volume/flow rate and no functioning valves. The mechanical compression effect of submucosal edema, created by the injection of sclerosing agents, may also be responsible for acute hemostasis.

Absorption, Distribution and Excretion · 2 件

After an intravenously administered radiolabelled dose, 70% of the drug was recovered in the urine of rats within 24 hours post-dosing. At the end of the 72 hour post-dose period, 73.5% of the radiolabel had been recovered from the urine and 18.2% recovered from the faeces.

In humans, a large proportion (75%) of an injected dose of radiolabelled 3% sodium tetradecyl sulfate rapidly disappeared from the empty varicose vein injection site into communicating blood vessels with rapid entry into the deep veins of the calf. In rats, at 72 hours after intravenous dosing of radiolabelled sodium tetradecyl sulfate, tissue levels of radiolabelled matter found in sample tissues (liver, kidney, lipid and skeletal muscle) were measured as very low. Although there was some evidence of radiolabel associated with the injection site, the levels were negligible.

関連反応

0 件
反応記録を作成

現在のフィルター条件では反応記録がありません。

化合物ノート

読み込み中…

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