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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
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 C18H14N2O6
Molecular Weight 354.3136
Charge -2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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
139594
PubMed

PubMed

TitleDatePubMed
Patents

Patents

US8933013
2
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:39:39 GMT 2023
Edited
by admin
on Fri Dec 15 15:39:39 GMT 2023
Record UNII
7CAN0181XN
Record Status Validated (UNII)
Record Version
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Name Type Language
BUFROLIN DISODIUM
MART.  
Common 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
BUFROLIN SODIUM
MART.  
Common Name English
Code System Code Type Description
PUBCHEM
71587179
Created by admin on Fri Dec 15 15:39:39 GMT 2023 , Edited by admin on Fri Dec 15 15:39:39 GMT 2023
PRIMARY
CAS
54545-84-5
Created by admin on Fri Dec 15 15:39:39 GMT 2023 , Edited by admin on Fri Dec 15 15:39:39 GMT 2023
PRIMARY
EPA CompTox
DTXSID60202967
Created by admin on Fri Dec 15 15:39:39 GMT 2023 , Edited by admin on Fri Dec 15 15:39:39 GMT 2023
PRIMARY
FDA UNII
7CAN0181XN
Created by admin on Fri Dec 15 15:39:39 GMT 2023 , Edited by admin on Fri Dec 15 15:39:39 GMT 2023
PRIMARY
Related Record Type Details
Structure of BUFROLIN
PARENT -> SALT/SOLVATE
NIH
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