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Details

Stereochemistry ACHIRAL
Molecular Formula C18H14N2O6.2Na
Molecular Weight 400.2931
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUFROLIN DISODIUM

SMILES

[Na+].[Na+].CCCCC1=C2NC(=CC(=O)C2=C3NC(=CC(=O)C3=C1)C([O-])=O)C([O-])=O

InChI

InChIKey=KMURAXKESYZSRJ-UHFFFAOYSA-L
InChI=1S/C18H16N2O6.2Na/c1-2-3-4-8-5-9-12(21)6-10(17(23)24)20-16(9)14-13(22)7-11(18(25)26)19-15(8)14;;/h5-7H,2-4H2,1H3,(H,19,22)(H,20,21)(H,23,24)(H,25,26);;/q;2*+1/p-2

HIDE SMILES / InChI

Description

Bufrolin is xanthine derivative and mast cell stabilizer with antiallergic activity. In recent studies, Bufrolin was found to be high potency agonists of human GPR35.

Originator

Vondra, V.
2
Sources: Casopis Lekaru Ceskych Volume116; Issue 48; Pages 1481-2; 1977

Approval Year

Unknown
149124
PubMed

PubMed

TitleDatePubMed
The antiallergic mast cell stabilizers lodoxamide and bufrolin as the first high and equipotent agonists of human and rat GPR35.
2014-01
Patents

Patents

US8933013
2
Name Type Language
BUFROLIN DISODIUM
MART.  
Common Name English
BUFROLIN SODIUM
MART.  
Preferred Name English
1,7-PHENANTHROLINE-2,8-DICARBOXYLIC ACID, 6-BUTYL-1,4,7,10-TETRAHYDRO-4,10-DIOXO-, DISODIUM SALT
Common Name English
BUFROLIN SODIUM [MART.]
Common Name English
BUFROLIN DISODIUM [MART.]
Common Name English
1,7-PHENANTHROLINE-2,8-DICARBOXYLIC ACID, 6-BUTYL-1,4,7,10-TETRAHYDRO-4,10-DIOXO-, SODIUM SALT (1:2)
Common Name English
Code System Code Type Description
PUBCHEM
71587179
Created by admin on Mon Mar 31 18:04:32 GMT 2025 , Edited by admin on Mon Mar 31 18:04:32 GMT 2025
PRIMARY
CAS
54545-84-5
Created by admin on Mon Mar 31 18:04:32 GMT 2025 , Edited by admin on Mon Mar 31 18:04:32 GMT 2025
PRIMARY
EPA CompTox
DTXSID60202967
Created by admin on Mon Mar 31 18:04:32 GMT 2025 , Edited by admin on Mon Mar 31 18:04:32 GMT 2025
PRIMARY
FDA UNII
7CAN0181XN
Created by admin on Mon Mar 31 18:04:32 GMT 2025 , Edited by admin on Mon Mar 31 18:04:32 GMT 2025
PRIMARY
PARENT (SALT/SOLVATE)
Structure of BUFROLIN
SUBSTANCE RECORD
Structure of BUFROLIN DISODIUM
NIH
NCATS
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