ChemicalBook--->CAS DataBase List--->63610-08-2

63610-08-2

63610-08-2 Structure

63610-08-2 Structure
IdentificationMore
[Name]

Indobufen
[CAS]

63610-08-2
[Synonyms]

INDOBUFEN
(+-)-butyricaci
1-oxo-2-(p-((alpha-ethyl)carboxymethyl)phenyl)isoindoline
4-(1,3-dihydro-1-oxo-2h-isoindol-2-yl)-alpha-ethyl-benzeneaceticacid
2-[4-(1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PHENYL]-BUTYRIC ACID
lndobufen
INDOBNFEN
2-[4-(1-oxo-2-isoindolinyl)phenyl]butyric acid
Ibustrin
K-3920
(2R)-2-[4-(3-Oxo-1H-isoindol-2-yl)phenyl]butanoic acid
1-Oxo-2-(p-((a-ethyl)carboxymethyl)phenyl)isoindoline
4-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)a-ethyl-benzeneacetic acid
Benzeneacetic acid, 4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-a-ethyl-
Butyric acid, 2-(p-(1-oxo-2-isoindolinyl)phenyl)-, (+-)
(±)-4-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-α-ethylbenzeneacetic acid
(αR)-4-[(1,3-Dihydro-1-oxo-2H-isoindole)-2-yl]-α-ethylbenzeneacetic acid
[R,(-)]-4-[(1,3-Dihydro-1-oxo-2H-isoindole)-2-yl]-α-ethylbenzeneacetic acid
(αS)-4-[(1,3-Dihydro-1-oxo-2H-isoindol)-2-yl]-α-ethylbenzeneacetic acid
d-INB
[EINECS(EC#)]

264-364-4
[Molecular Formula]

C18H17NO3
[MDL Number]

MFCD00572250
[Molecular Weight]

295.33
[MOL File]

63610-08-2.mol
Chemical PropertiesBack Directory
[Melting point ]

182-184°
[Boiling point ]

518.1±50.0 °C(Predicted)
[density ]

1.275±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

4.39±0.10(Predicted)
[color ]

White
[InChI]

InChI=1S/C18H17NO3/c1-2-15(18(21)22)12-7-9-14(10-8-12)19-11-13-5-3-4-6-16(13)17(19)20/h3-10,15H,2,11H2,1H3,(H,21,22)
[InChIKey]

AYDXAULLCROVIT-UHFFFAOYSA-N
[SMILES]

O=C1C2C=CC=CC=2CN1C1C=CC(C(CC)C(=O)O)=CC=1
[CAS DataBase Reference]

63610-08-2(CAS DataBase Reference)
[EPA Substance Registry System]

63610-08-2(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Potassium carbonate-->Phthalic anhydride-->Benzyl bromide-->α-(p-Aminophenyl)butyric acid-->Isoindoline
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-(1,3-Dihydro-1-oxo-(2H)-isoindol-2-yl)-alpha-ethylbenzeneacetic acid(63610-08-2).msds
Hazard InformationBack Directory
[Description]

Indobufen is a platelet aggregation inhibitor related to the antiinflammatory agent indoprofen. It has shown clinical efficacy in peripheral artery disease, in prevention of deep vein thrombosis after myocardial infarction, and in blocking excercise-induced increase in platelet aggregation in angina patients.
[Chemical Properties]

Crystallized from methanol, melting point 182-184°C.
[Originator]

Erbamont (Italy)
[Uses]

Indobufen is a platelet aggregation inhibitor. Indobufen is the anticoagulant drug and platelet aggregation inhibitor, which has anti-inflammatory analgesic effect. Indobufen is used as an antithrombotic.
[Definition]

ChEBI: Indobufen is a member of isoindoles.
[Brand name]

IBUSTRIN
[Clinical Use]

A reversible but very potent inhibitor of platelet COX-1 activity, was shown to have comparable clinical efficacy to that of aspirin in prevention of DVT after myocardial infarction and in blocking exercise-induced increase in platelet aggregation. In the secondary prevention of thromboembolic events, 100 or 200 mg of indobufen twice daily is as effective as warfarin or aspirin in patients with or without atrial fibrillation. Currently, indobufen is only available for routine clinical use in Europe.
Spectrum DetailBack Directory
[Spectrum Detail]

Indobufen(63610-08-2)1HNMR
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