FUREGRELATE SODIUM

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H10NO3.Na.H2O
Molecular Weight	293.2498
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of FUREGRELATE SODIUM

Structure Search

SMILES

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

InChI

InChIKey=UVXKTLQOOXTOML-UHFFFAOYSA-M

InChI=1S/C15H11NO3.Na.H2O/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);;1H2/q;+1;/p-1

HIDE SMILES / InChI

Molecular Formula	HO
Molecular Weight	17.0073
Charge	-1
Count

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

Molecular Formula	C15H11NO3
Molecular Weight	253.2527
Charge	0
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:10:22 UTC 2023` Edited by `admin` on `Fri Dec 15 17:10:22 UTC 2023`
Record UNII	2C22EDW1Z5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FUREGRELATE SODIUM

Official Name

English

U-63,557A

Code

English

Sodium 5-(3-pyridylmethyl)-2-benzofurancarboxylate monohydrate

Systematic Name

English

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

Common Name

English

FUREGRELATE SODIUM [USAN]

Common Name

English

U-63557A

Code

English

2-BENZOFURANCARBOXYLIC ACID, 5-(3-PYRIDINYLMETHYL)-, SODIUM SALT, HYDRATE (1:1:1)

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C471

Created by admin on Fri Dec 15 17:10:22 UTC 2023 , Edited by admin on Fri Dec 15 17:10:22 UTC 2023

NCI_THESAURUS

C1327

Created by admin on Fri Dec 15 17:10:22 UTC 2023 , Edited by admin on Fri Dec 15 17:10:22 UTC 2023

Code System Code Type Description

USAN

W-20

Created by admin on Fri Dec 15 17:10:22 UTC 2023 , Edited by admin on Fri Dec 15 17:10:22 UTC 2023

PRIMARY

NCI_THESAURUS

C96920

Created by admin on Fri Dec 15 17:10:22 UTC 2023 , Edited by admin on Fri Dec 15 17:10:22 UTC 2023

PRIMARY

CAS

87463-91-0

Created by admin on Fri Dec 15 17:10:22 UTC 2023 , Edited by admin on Fri Dec 15 17:10:22 UTC 2023

PRIMARY

PUBCHEM

23724912

Created by admin on Fri Dec 15 17:10:22 UTC 2023 , Edited by admin on Fri Dec 15 17:10:22 UTC 2023

PRIMARY

FDA UNII

2C22EDW1Z5

Created by admin on Fri Dec 15 17:10:22 UTC 2023 , Edited by admin on Fri Dec 15 17:10:22 UTC 2023

PRIMARY

EPA CompTox

DTXSID901017944

Created by admin on Fri Dec 15 17:10:22 UTC 2023 , Edited by admin on Fri Dec 15 17:10:22 UTC 2023

PRIMARY

ChEMBL

CHEMBL1204948

Created by admin on Fri Dec 15 17:10:22 UTC 2023 , Edited by admin on Fri Dec 15 17:10:22 UTC 2023

PRIMARY

Related Record Type Details


					4F11B27M90

FUREGRELATE SODIUM ANHYDROUS

ANHYDROUS->SOLVATE


					KX4D9BZA6X

PARENT -> SALT/SOLVATE

Related Record Type Details


					KX4D9BZA6X

ACTIVE MOIETY