FUREGRELATE SODIUM ANHYDROUS

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

Structure Search

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	C15H10NO3
Molecular Weight	252.2448
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/6086857 | https://www.ncbi.nlm.nih.gov/pubmed/2717519

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

Primary Target	Pharmacology	Condition	Potency
Thromboxane-A synthase 21 Target ID: P24557\|\|\|Q8IUN1\|\|\|Q9HD82 Gene ID: 6916.0 Gene Symbol: TBXAS1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/6685888	Inhibitor 8504

Conditions

Condition	Modality	Highest Phase	Product
Pulmonary arterial hypertension 36 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22837860	Primary	Not Provided 511	Unknown Approved Use Unknown
Arrhythmia 45 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2159727	Primary	Not Provided 511	Unknown Approved Use Unknown
Thrombosis 22 Sources: https://www.ncbi.nlm.nih.gov/pubmed/3183064	Primary	Not Provided 511	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
Inhibition of platelet thromboxane A2 synthase activity by sodium 5-(3'-pyridinylmethyl)benzofuran-2-carboxylate.	1983-08	6316421

Sample Use Guides

In Vivo Use Guide

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

Unknown

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:39:16 GMT 2025` Edited by `admin` on `Mon Mar 31 21:39:16 GMT 2025`
Record UNII	4F11B27M90
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FUREGRELATE SODIUM ANHYDROUS

Common Name

English

2-BENZOFURANCARBOXYLIC ACID, 5-(3-PYRIDINYLMETHYL)-, SODIUM SALT

Preferred Name

English

SODIUM 5-(3-PYRIDYLMETHYL)-2-BENZOFURANCARBOXYLATE

Systematic 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