Basic information
- CAS
21626-89-1- Standard SMILES
O=C1c2ccccc2CN2C(=O)c3ccccc3CN12- InChIKey
CXSJGNHRBWJXEA-UHFFFAOYSA-N- Molecular formula
- C16H12N2O2
- Average molar mass
- 264.28 g/mol
- Monoisotopic mass
- 264.08987763
Overview
Diftalone is a small molecule drug. Diftalone has a monoisotopic molecular weight of 264.09 Da.
Names & identifiers
- Preferred name
- Diftalone
- IUPAC
- 5,12-dihydrophthalazino[3,2-b]phthalazine-7,14-dione
- English name
- diftalone
- Molecular formula
- C16H12N2O2
- Molecular weight
- 264.283
Names & synonyms
DIFTALONE21626-89-1AladioneDiftalonaDTXSID3020469Phthalazino[2,3-b]phthalazine-5,12(7H,14H)-dioneDiftalonumL-54185,12-dihydrophthalazino[3,2-b]phthalazine-7,14-dione142FG4G74XPhthalazino(2,3-b)phthalazine-5,12(7H,14H)-dioneDTXCID30469
Show more names
CCRIS 5458
L54185,12-dihydrophthalazino(3,2-b)phthalazine-7,14-dioneRefChem:920178phthalazino-(2,3-b)-phthalazine-5,12(7H,14H)-dione244-484-3L 5418Phthalazino(2,3-b)phthalazine-5(14H),12(7H)-dioneDFL
Database identifiers
- CAS
21626-89-1- PubChem CID
- 30717
- DTXSID
DTXSID3020469- ChEMBL
CHEMBL1536675- UNII
- 142FG4G74X
- EC Number
- 244-484-3
- Nikkaji
- J11.254B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- FDA UNII
- 142 FG4G74X · 142FG4G74X
Chemistry & industry
Applications
UsesAnti-inflammatory.
Suppliers3 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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