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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

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

Approval Year

Name Type Language
FUREGRELATE SODIUM
USAN  
USAN  
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