BUFROLIN

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H16N2O6
Molecular Weight	356.3294
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BUFROLIN

Structure Search

SMILES

CCCCC1=C2NC(=CC(=O)C2=C3NC(=CC(=O)C3=C1)C(O)=O)C(O)=O

InChI

InChIKey=BQVIONBNDNFCCP-UHFFFAOYSA-N

InChI=1S/C18H16N2O6/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)

HIDE SMILES / InChI

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/24113750 | https://www.ncbi.nlm.nih.gov/pubmed/2833089 | https://www.ncbi.nlm.nih.gov/pubmed/6422727

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

Approval Year

PubMed

PubMed

Title	Date	PubMed

Patents

Patents

Name

Type

Language

BUFROLIN

Official Name

English

BUFROLIN [MART.]

Common Name

English

ICI-74917

Code

English

6-BUTYL-1,4,7,10-TETRAHYDRO-4,10-DIOXO-1,7-PHENANTHROLINE-2,8-DICARBOXYLIC ACID

Systematic Name

English

bufrolin [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29714

Created by admin on Fri Dec 15 16:02:24 GMT 2023 , Edited by admin on Fri Dec 15 16:02:24 GMT 2023

Code System Code Type Description

EVMPD

SUB05966MIG

Created by admin on Fri Dec 15 16:02:24 GMT 2023 , Edited by admin on Fri Dec 15 16:02:24 GMT 2023

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INN

3901

Created by admin on Fri Dec 15 16:02:24 GMT 2023 , Edited by admin on Fri Dec 15 16:02:24 GMT 2023

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NCI_THESAURUS

C72940

Created by admin on Fri Dec 15 16:02:24 GMT 2023 , Edited by admin on Fri Dec 15 16:02:24 GMT 2023

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MESH

C100241

Created by admin on Fri Dec 15 16:02:24 GMT 2023 , Edited by admin on Fri Dec 15 16:02:24 GMT 2023

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FDA UNII

46C1PX266N

Created by admin on Fri Dec 15 16:02:24 GMT 2023 , Edited by admin on Fri Dec 15 16:02:24 GMT 2023

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SMS_ID

100000088458

Created by admin on Fri Dec 15 16:02:24 GMT 2023 , Edited by admin on Fri Dec 15 16:02:24 GMT 2023

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EPA CompTox

DTXSID60203353

Created by admin on Fri Dec 15 16:02:24 GMT 2023 , Edited by admin on Fri Dec 15 16:02:24 GMT 2023

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PUBCHEM

72103

Created by admin on Fri Dec 15 16:02:24 GMT 2023 , Edited by admin on Fri Dec 15 16:02:24 GMT 2023

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ChEMBL

CHEMBL150764

Created by admin on Fri Dec 15 16:02:24 GMT 2023 , Edited by admin on Fri Dec 15 16:02:24 GMT 2023

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CAS

54867-56-0

Created by admin on Fri Dec 15 16:02:24 GMT 2023 , Edited by admin on Fri Dec 15 16:02:24 GMT 2023

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ACTIVE MOIETY


					46C1PX266N

BUFROLIN

SALT/SOLVATE (PARENT)


					7CAN0181XN

BUFROLIN DISODIUM