2-O-Sulfohexopyranuronosyl-(1->4)-2-deoxy-3-O-sulfo-2-(sulfoamino)hexopyranosyl-(1->4)-2-O-sulfohexopyranuronosyl-(1->4)-2-acetamido-2-deoxy-6-O-sulfohexopyranose

HCID 772CAS 9005-49-6

基本情報

標準SMILES: CC(=O)NC1C(O)OC(COS(=O)(=O)O)C(OC2OC(C(=O)O)C(OC3OC(CO)C(OC4OC(C(=O)O)C(O)C(O)C4OS(=O)(=O)O)C(OS(=O)(=O)O)C3NS(=O)(=O)O)C(O)C2OS(=O)(=O)O)C1O
InChIKey: HTTJABKRGRZYRN-UHFFFAOYSA-N
分子式: C26H42N2O37S5
平均分子量: 1,134.9 g/mol
単同位体質量: 1,134.00699528

概要

enoxaparin fragment has been reported in Hydropuntia edulis, Sargassum myriocystum, and other organisms with data available.

名称と識別子

優先名称: 2-O-Sulfohexopyranuronosyl-(1->4)-2-deoxy-3-O-sulfo-2-(sulfoamino)hexopyranosyl-(1->4)-2-O-sulfohexopyranuronosyl-(1->4)-2-acetamido-2-deoxy-6-O-sulfohexopyranose
IUPAC: 6-[6-[6-[5-acetamido-4,6-dihydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-2-carboxy-4-hydroxy-5-sulfooxyoxan-3-yl]oxy-2-(hydroxymethyl)-5-(sulfoamino)-4-sulfooxyoxan-3-yl]oxy-3,4-dihydroxy-5-sulfooxyoxane-2-carboxylic acid

名称と別名

DTXSID808727622-o-sulfohexopyranuronosyl-(1->4)-2-deoxy-3-o-sulfo-2-(sulfoamino)hexopyranosyl-(1->4)-2-o-sulfohexopyranuronosyl-(1->4)-2-acetamido-2-deoxy-6-o-sulfohexopyranoseRefChem:935558GlyTouCan:G90061MSDTXCID50820351G90061MSClexaneParvoparinalpha-HeparinLMWHSandoparinPabyrin

名称をさらに表示

SubeparinTriofibanFragmin AFragmin BVitrum ABEparina [DCIT]Heparin [BAN]Adomiparin [USAN]

データベース識別子

CAS: 9005-49-6
PubChem CID: 772
DTXSID: DTXSID80872762

物性

構造計算による物性

XLogP: -10.8
極性表面積: 652 Å²
水素結合供与体数: 15
水素結合受容体数: 38
回転可能結合数: 21
重原子数: 70
形式電荷: 0
複雑度: 2,410

実験および物理化学的性質

Solubility1.08e+01 g/L

Physical DescriptionSolid

安全と法規制

毒性情報

Adverse Effects · 1 件

As an anticoagulant, the main risk of LMWH is bleeding. Less common adverse effects include heparin-induced thrombocytopenia, osteoporosis, spontaneous fractures, hypoaldosteronism, and hypersensitivity reactions. In assessing the need for anticoagulant medication, clinicians must consider the risks posed by bleeding versus the risks of clotting.

Toxicity SummarySigns and Symptoms of Overdose

化学と産業

薬理情報

Cellular LocationsExtracellular

Metabolite PathwaysArdeparin Action Pathway