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Details

Stereochemistry ACHIRAL
Molecular Formula C15H11NO3
Molecular Weight 253.2527
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FUREGRELATE

SMILES

OC(=O)C1=CC2=C(O1)C=CC(CC3=CC=CN=C3)=C2

InChI

InChIKey=VHWFITPGPFLBGT-UHFFFAOYSA-N
InChI=1S/C15H11NO3/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)

HIDE SMILES / InChI

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:33:14 UTC 2023
Edited
by admin
on Sat Dec 16 16:33:14 UTC 2023
Record UNII
KX4D9BZA6X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FUREGRELATE
INN  
INN  
Official Name English
furegrelate [INN]
Common Name English
5-(3-PYRIDYLMETHYL)-2-BENZOFURANCARBOXYLATE
Systematic Name English
2-BENZOFURANCARBOXYLIC ACID, 5-(3-PYRIDINYLMETHYL)-
Common Name English
5-(3-PYRIDYLMETHYL)-2-BENZOFURANCARBOXYLIC ACID
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C471
Created by admin on Sat Dec 16 16:33:15 UTC 2023 , Edited by admin on Sat Dec 16 16:33:15 UTC 2023
NCI_THESAURUS C1327
Created by admin on Sat Dec 16 16:33:15 UTC 2023 , Edited by admin on Sat Dec 16 16:33:15 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C72789
Created by admin on Sat Dec 16 16:33:15 UTC 2023 , Edited by admin on Sat Dec 16 16:33:15 UTC 2023
PRIMARY
EPA CompTox
DTXSID7046960
Created by admin on Sat Dec 16 16:33:15 UTC 2023 , Edited by admin on Sat Dec 16 16:33:15 UTC 2023
PRIMARY
CAS
85666-24-6
Created by admin on Sat Dec 16 16:33:15 UTC 2023 , Edited by admin on Sat Dec 16 16:33:15 UTC 2023
PRIMARY
WIKIPEDIA
Furegrelate
Created by admin on Sat Dec 16 16:33:15 UTC 2023 , Edited by admin on Sat Dec 16 16:33:15 UTC 2023
PRIMARY
SMS_ID
100000080698
Created by admin on Sat Dec 16 16:33:15 UTC 2023 , Edited by admin on Sat Dec 16 16:33:15 UTC 2023
PRIMARY
FDA UNII
KX4D9BZA6X
Created by admin on Sat Dec 16 16:33:15 UTC 2023 , Edited by admin on Sat Dec 16 16:33:15 UTC 2023
PRIMARY
ChEMBL
CHEMBL1204948
Created by admin on Sat Dec 16 16:33:15 UTC 2023 , Edited by admin on Sat Dec 16 16:33:15 UTC 2023
PRIMARY
PUBCHEM
3437
Created by admin on Sat Dec 16 16:33:15 UTC 2023 , Edited by admin on Sat Dec 16 16:33:15 UTC 2023
PRIMARY
MESH
C039936
Created by admin on Sat Dec 16 16:33:15 UTC 2023 , Edited by admin on Sat Dec 16 16:33:15 UTC 2023
PRIMARY
INN
5742
Created by admin on Sat Dec 16 16:33:15 UTC 2023 , Edited by admin on Sat Dec 16 16:33:15 UTC 2023
PRIMARY
EVMPD
SUB07838MIG
Created by admin on Sat Dec 16 16:33:15 UTC 2023 , Edited by admin on Sat Dec 16 16:33:15 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY