Basic information
- CAS
54867-56-0- Standard SMILES
CCCCc1cc2c(=O)cc(C(=O)O)[nH]c2c2c(=O)cc(C(=O)O)[nH]c12- InChIKey
BQVIONBNDNFCCP-UHFFFAOYSA-N- Molecular formula
- C18H16N2O6
- Average molar mass
- 356.3 g/mol
- Monoisotopic mass
- 356.10083623
Overview
Bufrolin is a small molecule drug. Bufrolin has a monoisotopic molecular weight of 356.1 Da.
Names & identifiers
- Preferred name
- Bufrolin
- IUPAC
- 6-butyl-4,10-dioxo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylic acid
- English name
- Bufrolin
- Molecular formula
- C18H16N2O6
- Molecular weight
- 356.33
Names & synonyms
Bufrolin54867-56-0ICI-7491746C1PX266NDTXSID602033536-butyl-1,4,7,10-tetrahydro-4,10-dioxo-1,7-phenathroline-2,8-dicarboxylic acidRefChem:121867DTXCID60125844Bufroline6-butyl-4,10-dioxo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylic acidCHEMBL1507646-Butyl-1,4,7,10-tetrahydro-4,10-dioxo-1,7-phenanthroline-2,8-dicarboxylic acid
Show more names
Bufrolin USP/EP/BP1,7-Phenanthroline-2,8-dicarboxylic acid, 6-butyl-1,4,7,10-tetrahydro-4,10-dioxo-
BufrolinumBufrolinoBufroline [INN-French]Bufrolin [INN:BAN]Bufrolinum [INN-Latin]Bufrolino [INN-Spanish]BufrolinaUNII-46C1PX266N
Database identifiers
- CAS
54867-56-0- PubChem CID
- 72103
- DTXSID
DTXSID60203353- ChEMBL
CHEMBL150764- UNII
- 46C1PX266N
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 725
Physicochemical properties
- Melting point
- 263 °C · >263°C (dec.)
- storage temp.
- Refrigerator
- solubility
- Aqueous Base (Slightly), Methanol (Slightly, Heated, Sonicated)
- form
- Solid
- color
- Light Beige to Beige
- FDA UNII
- 46 C1PX266N · 46C1PX266N
Chemistry & industry
Applications
UsesBufrolin is an analog of Sodium Cromoglycate (C815000). It is a mast cell stabilizer drug and is shown to display agonism at either human or rat G protein-coupled receptor GPR35.
Suppliers11 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…