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Fondaparinux Sodium

HCID 636380
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인쇄 미리보기
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
114870-03-0
표준 SMILES
CO[C@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O[C@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O[C@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H]5NS(=O)(=O)[O-])[C@H](O)[C@H]4O)[C@H](OS(=O)(=O)[O-])[C@H]3NS(=O)(=O)[O-])[C@H](O)[C@H]2OS(=O)(=O)[O-])[C@H](O)[C@H]1NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIKey
XEKSTYNIJLDDAZ-JASSWCPGSA-D
분자식
C31H43N3Na10O49S8
평균 분자량
1,728.1 g/mol
단동위원소 질량
1,726.7707769

개요

Fondaparinux Sodium is the sodium salt form of fondaparinux, a synthetic glucopyranoside with antithrombotic activity. Fondaparinux sodium selectively binds to antithrombin III, thereby potentiating the innate neutralization of activated factor X (Factor Xa) by antithrombin. Neutralization of Factor Xa inhibits its activity and interrupts the blood coagulation cascade, thereby preventing thrombin formation and thrombus development. (NCI05)

이름 및 식별자

우선 이름
Fondaparinux Sodium
IUPAC
decasodium;(2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-4-hydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-5-sulfonatooxyoxan-3-yl]oxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylate
영어명
Fondaparinux sodium
분자식
C31H43N3O49S8.10Na
분자량
1728.08

이름 및 동의어

Fondaparinux sodium114870-03-0ArixtraQuixidarFondaparin sodiumfondaparinux sodiqueX0Q6N9USOZSR-90107Afondaparinux sodicoFondaparinux sodium for assayFondaparinux sodium identificationIC-851589
이름 더 보기
Fondaparinux and intermediatesdecasodium 6-[[6-[[2-carboxylato-4-hydroxy-6-[[4-hydroxy-6-methoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)-3-oxanyl]oxy]-5-sulfonatooxy-3-oxanyl]oxy]-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfonatooxMethyl O-2-Deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(14)-O-β- D-glucopyranuronosyl-(14)-O-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(14)-O-2-O-sulfo-α-L-idopyranuronosyl-(14)-2-deoxy-2-(sulfoamino)-α-D-glucopyraa-D-Glucopyranoside, methylO-2-deoxy-6-O-sulfo-2-(sulfoamino)-a-D-glucopyranosyl-(14)-O-b-D-glucopyranuronosyl-(14)-O-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-a-D-glucopyranosyl-(14)-O-2-O-sulfo-a-L-idopyranuronosyl-(14)-2-deoxy-2-(sulfoamino)-,6-(hydrog

물성

구조 계산 물성

극성 표면적
901 Ų
수소 결합 공여자 수
9
수소 결합 수용자 수
52
회전 가능 결합 수
20
무거운 원자 수
101
형식 전하
0
복잡도
3,330

실험 및 물리화학적 성질

Human Drugs · 4건

Breast Feeding; Lactation; Anticoagulants

FDA approved drugs -> Active ingredient

EMA approved medicines: Human medicine

FDA approved drugs -> Active ingredient

물리화학적 성질

녹는점
209 °C · >209°C (dec.)
저장 조건
2 · 2-8°C
용해도
에 용해됨물
물리적 상태
고체
색상
흰색에서 황백색까지
주요 응용
미국 약전 생물학적 제제의약품(소분자)
InChIKey
XEKSTYNIJLDDAZ-UWCYYFDCNA-D

화학적 성질

White Powder (after lyophilisation)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Warning

H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P271, P304+P340, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 18 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

독성 정보

Drug Induced Liver Injury · 6건

Drug Induced Liver Injury Rank (DILIrank 2.0)

Fondaparinux sodium

vLess-DILI-concern

3

Adverse reactions

DOI:10.1016/j.drudis.2016.02.015

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

안전 데이터

wgk
WGK 3
HS 번호
3822000002
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

FDA Pharmacological Classification · 2건

FONDAPARINUX SODIUM

Factor Xa Inhibitors [MoA]; Factor Xa Inhibitor [EPC]

MeSH Pharmacological ClassificationEndogenous factors and drugs that inhibit or block the activity of FACTOR XA.
응용 분야 · 2건

개요Fondaparinux sodium was first introduced in the US for prophylaxis of deep vein thrombosis which may lead to pulmonary embolism following major orthopaedic surgery. Fondaparinux is the first of a new class of antithrombic agents distinct from low molecular weight heparin (LMWH) and heparin. This entirely synthetic molecule is a copy of the heparin pentasaccharide sequence, the shortest fragment able to catalyze antithrombin lllmediated inhibition of factor Xa thereby inhibiting thrombin generation without antithrombin action. Fondaparinux does not display significant effects on coagulation tests (such as activated partial thromboplastin time and prothrombin time), does not bind to platelet factor 4 or promote heparin-induced thrombocytopenia. In phase III studies, fondaparinux significantly reduced the incidence of thromboembolism following orthopedic surgery, with an overall risk reduction of 50% in comparison to the LMWH, enoxaparin. Following subcutaneous administration, fondaparinux has a nearly complete bioavailability, a rapid onset of action, a prolonged half-life (17.2 h) enabling once daily dosing and is not metabolized preceeding renal excretion. The drug appears to be generally safe, with haemoragic complications either comparable to or higher than those for LMWH.

용도Fondaparinux sodium has been used to test its neutralizing effect towards enterovirus D68-947 infection. It may be used in ultraviolet photodissociation (UVPD) measurements.

추가 설명

정의ChEBI: An organic sodium salt, being the decasodium salt of fondaparinux.

관련 반응

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decasodiuM (2R,3S,4S,5R,6R)-3-{[(2R,3R,4R,5R,6R)-5-{[(2R,3R,4R,5S,6S)-6-carboxylato-5-{[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfonatoaMino)-6-[(sulfonatooxy)Methyl]oxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl]oxy}-3-(sulfonatoaMino)-4-(sulfonatooxy)-6-[(sulfonatoo
(2S,3S,4R,5R,6R)-6-(((2R,3R,4R,5R,6R)-6-(((2R,3S,4S,5R,6R)-2-Carboxy-4-hydroxy-6-(((2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-((sulfooxy)methyl)tetrahydro-2H-pyran-3-yl)oxy)-5-(sulfooxy)tetrahydro-2H-pyran-3-yl)oxy)-5-(sulfoamino)-4-(sulfooxy)-
D01844
ACIOCA470
SR 90107A DECASODIUM SALTSR-90107A DECASODIUM SALTCHEBI:31632DTXSID501027612fondaparinuxum natricumRefChem:55229B01AX05DTXCID301513201

데이터베이스 식별자

CAS
114870-03-0
PubChem CID
636380
DTXSID
DTXSID501027612
ChEMBL
CHEMBL1200644
UNII
X0Q6N9USOZ
EC Number
686-283-7
Nikkaji
J1.878.798I