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Details

Stereochemistry ACHIRAL
Molecular Formula C15H10NO3.Na
Molecular Weight 275.2346
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FUREGRELATE SODIUM ANHYDROUS

SMILES

[Na+].[O-]C(=O)C1=CC2=C(O1)C=CC(CC3=CN=CC=C3)=C2

InChI

InChIKey=XBTIPIZROJAKOJ-UHFFFAOYSA-M
InChI=1S/C15H11NO3.Na/c17-15(18)14-8-12-7-10(3-4-13(12)19-14)6-11-2-1-5-16-9-11;/h1-5,7-9H,6H2,(H,17,18);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C15H10NO3
Molecular Weight 252.2448
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Furegrelate (previously known as U-63557A), a selective orally active thromboxane synthase inhibitor, with potential for the treatment of various diseases including hypertension, thrombosis, and renal disorders, arrhythmias, but these studies were discontinued.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P24557|||Q8IUN1|||Q9HD82
Gene ID: 6916.0
Gene Symbol: TBXAS1
Target Organism: Homo sapiens (Human)
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Approved Use

Unknown
Primary
Unknown

Approved Use

Unknown
Primary
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
Inhibition of platelet thromboxane A2 synthase activity by sodium 5-(3'-pyridinylmethyl)benzofuran-2-carboxylate.
1983 Aug

Sample Use Guides

The absorption and disposition of the parent drug in normal male volunteers have been studied after single- and multiple-dose oral administration. The results from the single-dose study indicate that furegrelate is rapidly absorbed, with a Tmax of 1.0-1.7 hr, has an apparent terminal disposition rate constant of 0.12-0.17 hr-1, and is eliminated primarily by the kidney, with 62-78% of the dose excreted as parent drug
Route of Administration: Oral
In Vitro Use Guide
Curator's Comment: U-63557A (furegrelate) could potentiate the effects of Eicosapentaenoic acid (EPA) on postischemic cerebral blood flow (CBF) in ischemic gerbils. Ischemia was produced by bilateral carotid artery occlusion for 15 minutes followed by reperfusion for 2 hours
Unknown
Substance Class Chemical
Created
by admin
on Sat Dec 16 06:56:53 GMT 2023
Edited
by admin
on Sat Dec 16 06:56:53 GMT 2023
Record UNII
4F11B27M90
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FUREGRELATE SODIUM ANHYDROUS
Common Name English
SODIUM 5-(3-PYRIDYLMETHYL)-2-BENZOFURANCARBOXYLATE
Systematic Name English
2-BENZOFURANCARBOXYLIC ACID, 5-(3-PYRIDINYLMETHYL)-, SODIUM SALT
Common Name English
SODIUM 5-(3-PYRIDINYLMETHYL)BENZOFURAN-2-CARBOXYLATE
Systematic Name English
2-BENZOFURANCARBOXYLIC ACID, 5-(3-PYRIDINYLMETHYL)-, SODIUM SALT (1:1)
Common Name English
Code System Code Type Description
CAS
85666-17-7
Created by admin on Sat Dec 16 06:56:53 GMT 2023 , Edited by admin on Sat Dec 16 06:56:53 GMT 2023
PRIMARY
PUBCHEM
23663954
Created by admin on Sat Dec 16 06:56:53 GMT 2023 , Edited by admin on Sat Dec 16 06:56:53 GMT 2023
PRIMARY
FDA UNII
4F11B27M90
Created by admin on Sat Dec 16 06:56:53 GMT 2023 , Edited by admin on Sat Dec 16 06:56:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID8045226
Created by admin on Sat Dec 16 06:56:53 GMT 2023 , Edited by admin on Sat Dec 16 06:56:53 GMT 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS
Related Record Type Details
ACTIVE MOIETY