Zonampanel
Basic information
- CAS
210245-80-0- Standard SMILES
O=C(O)Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)cc21- InChIKey
SPXYHZRWPRQLNS-UHFFFAOYSA-N- Molecular formula
- C13H9N5O6
- Average molar mass
- 331.24 g/mol
- Monoisotopic mass
- 331.05528302
Overview
Zonampanel anhydrous is a small molecule drug. Zonampanel anhydrous is under investigation in clinical trial NCT00044070 (A Study to Evaluate the Effects of YM872 on Stroke Lesion Volume in Acute Stroke Patients). Zonampanel anhydrous has a monoisotopic molecular weight of 331.06 Da.
Names & identifiers
- Preferred name
- Zonampanel
- IUPAC
- 2-(7-imidazol-1-yl-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid
- English name
- ZONAMPANEL
- Molecular formula
- C13H9N5O6
- Molecular weight
- 331.24
Names & synonyms
Zonampanel210245-80-0Ym 872YM872 anhydrousZonampanel anhydrousYM 872 anhydrousYM-872YM872YM-872 ANHYDROUS9X33544ILSDTXSID50175232zonampanelum
Show more names
Zonampanel (YM 872)7-(1H-Imidazol-1-yl)-6-nitro-2,3-dioxo-3,4-dihydro-1(2H)-quinoxalineacetic acid1(2H)-Quinoxalineacetic acid, 3,4-dihydro-7-(1H-imidazol-1-yl)-6-nitro-2,3-dioxo-1(2H)-Quinoxalineacetic acid, 3,4-dihydro-7-(1H-imidazol-1-yl)-6-nitro-2,3-dihydro-(2,3-Dioxo-7-(1H-imidazol-1-yl)-6-nitro-1,2,3,4-tetrahydro-1-quinoxalinyl)acetic acid monohydrate
RefChem:934566DTXCID70977231(2H)-Quinoxalineacetic acid, 3,4-dihydro-7-(1H-imidazol-1-yl)-6-nitro-2,3-dioxo-, hydrate (1:1)1(2H)-Quinoxalineacetic acid,3,4-dihydro-7-(1H-imidazol-1-yl)-6-nitro-2,3-dioxo-, monohydrate11G3FV7PG73,4-Dihydro-7-imidazol-1-yl-6-nitro-2,3-dioxo-1(2H)-quinoxalineacetic acid, monohydrate2-(7-imidazol-1-yl-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acidCHEMBL119625
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 578
Physicochemical properties
- Density
- 1.82 · 1.82±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- Solid
- pka
- 3.2 · 3.20±0.10(Predicted)
- color
- Yellow to brown
- FDA UNII
- 9 X33544ILS · 9X33544ILS
Chemistry & industry
Applications
UsesTreatment of ischemic stroke (AMPA receptor antagonist offering neuroprotection).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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