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
부분 구조 검색유사 구조 찾기

기본 정보

표준 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
분자식
C26H42N2O37S5
평균 분자량
1,134.9 g/mol
단동위원소 질량
1,134.00699528

개요

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

이름 및 식별자

우선 이름
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

이름 및 동의어

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
이름 더 보기
SubeparinTriofibanFragmin AFragmin BVitrum ABEparina [DCIT]Heparin [BAN]Adomiparin [USAN]

데이터베이스 식별자

CAS
9005-49-6
PubChem CID
772
DTXSID
DTXSID80872762

물성

구조 계산 물성

XLogP
-10.8
극성 표면적
652 Ų
수소 결합 공여자 수
15
수소 결합 수용자 수
38
회전 가능 결합 수
21
무거운 원자 수
70

실험 및 물리화학적 성질

Solubility1.08e+01 g/L
Physical DescriptionSolid

안전 및 규제

독성 정보

Adverse Effects · 1건

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

화학 및 산업

약리 정보

Cellular LocationsExtracellular
Metabolite PathwaysArdeparin Action Pathway

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