Bisnafide
Basic information
- CAS
144849-63-8- Standard SMILES
C[C@H](CNCCNC[C@@H](C)N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O)N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O- InChIKey
PXBZKHOQHTVCSQ-QZTJIDSGSA-N- Molecular formula
- C32H28N6O8
- Average molar mass
- 624.6 g/mol
- Monoisotopic mass
- 624.19686187
Overview
Bisnafide is a small molecule drug. Bisnafide has a monoisotopic molecular weight of 624.2 Da.
Names & identifiers
- Preferred name
- Bisnafide
- IUPAC
- 5-nitro-2-[(2R)-1-[2-[[(2R)-2-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]amino]ethylamino]propan-2-yl]benzo[de]isoquinoline-1,3-dione
- English name
- BISNAFIDE
- Molecular formula
- C32H28N6O8
- Molecular weight
- 624.6
Names & synonyms
BISNAFIDE144849-63-8bisnafida62H4W26906bisnafidumRefChem:1204751H-Benz(de)isoquinoline-1,3(2H)-dione, 2,2'-(1,2-ethanediylbis(imino(1-methyl-2,1-ethanediyl)))bis(5-nitro-, (R-(R*,R*)))-, dimethanesulfonateBisnafide [INN]5-nitro-2-[(2R)-1-[2-[[(2R)-2-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]amino]ethylamino]propan-2-yl]benzo[de]isoquinoline-1,3-dioneUNII-62H4W26906(R,R)-2,2'-(1,2-ethanediylbis(imino(1-methyl-2,1-ethanediyl)))-bis(5-nitro-1H-benz(de)isoquinolone-1,3-(2H)-dione)dimethanesulfonateBISNAFIDE [WHO-DD]
Show more names
DMP 8401H-Benz[de]isoquinoline-1,3(2H)-dione, 2,2'-[1,2-ethanediylbis[imino[(1R)-1-methyl-2,1-ethanediyl]]]bis[5-nitro-
orb1702493SCHEMBL9136683CHEMBL1178861SCHEMBL29617562DTXSID701350950AKOS040746629HY-106921CS-0026915
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 190 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,160
Physicochemical properties
- FDA UNII
- 62 H4W26906 · 62H4W26906
Chemistry & industry
Applications
UsesAntineoplastic.
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Related reactions
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Compound notes
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