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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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 06:56:53 UTC 2023
Edited
by admin
on Sat Dec 16 06:56:53 UTC 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 UTC 2023 , Edited by admin on Sat Dec 16 06:56:53 UTC 2023
PRIMARY
PUBCHEM
23663954
Created by admin on Sat Dec 16 06:56:53 UTC 2023 , Edited by admin on Sat Dec 16 06:56:53 UTC 2023
PRIMARY
FDA UNII
4F11B27M90
Created by admin on Sat Dec 16 06:56:53 UTC 2023 , Edited by admin on Sat Dec 16 06:56:53 UTC 2023
PRIMARY
EPA CompTox
DTXSID8045226
Created by admin on Sat Dec 16 06:56:53 UTC 2023 , Edited by admin on Sat Dec 16 06:56:53 UTC 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS
Related Record Type Details
ACTIVE MOIETY