Basic information
- CAS
64748-79-4- Standard SMILES
O=C1CN(N=Cc2ncc(-c3ccc(Br)cc3)o2)C(=O)N1- InChIKey
SEGCNGONCZQFDW-UHFFFAOYSA-N- Molecular formula
- C13H9BrN4O3
- Average molar mass
- 349.14 g/mol
- Monoisotopic mass
- 347.9858
Names & identifiers
- Preferred name
- 1-[[5-(4-Bromophenyl)-1,3-oxazol-2-yl]methylideneamino]imidazolidine-2,4-dione
- IUPAC
- 1-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]methylideneamino]imidazolidine-2,4-dione
- English name
- Azumolene
- Molecular formula
- C13H9BrN4O3
- Molecular weight
- 349.14
Names & synonyms
SCHEMBL4071385DTXSID208670961-({[5-(4-BROMOPHENYL)-1,3-OXAZOL-2-YL]METHYLIDENE}AMINO)IMIDAZOLIDINE-2,4-DIONE1-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]methylideneamino]imidazolidine-2,4-dioneNS00125262AzumoleneEU4093 free baseAzumolene - Bio-X ?Azumolene, 10 mM in DMSO1-[[[5-(4-Bromophenyl)-2-oxazolyl]methylene]amino]hydantoin1-(((5-(4-bromophenyl)oxazol-2-yl)methylene)amino)imidazolidine-2,4-dione1-[[[5-(4-Bromophenyl)-2-oxazolyl]methylene]amino]-2,4-imidazolidinedione
Show more names
2,4-Imidazolidinedione, 1-[[[5-(4-bromophenyl)-2-oxazolyl]methylene]amino]-SOCE,inhibit,Azumolene,EU-4093,ryanodine,Inhibitor,Ca channels,EU 4093,Calcium Channel,relaxant,Ca2+ channels,muscle,EU4093,receptor,calcium
Database identifiers
- CAS
64748-79-4- PubChem CID
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 451
Physicochemical properties
- Melting point
- 290 · 290-292 °C(Solvent: Acetic acid)
- Density
- 1.791 · 1.791±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 13.89 mg/mL · DMSO: 13.89 mg/mL (39.78 mM)
- pka
- 7.431 · 7.431±0.10(predicted)
- form
- Solid
- color
- White to light brown
- InChI
- 1S/C13H9BrN4O3/c14-9-3-1-8(2-4-9)10-5-15-12(21-10)6-16-18-7-11(19)17-13(18)20/h1-6H,7H2,(H,17,19,20)
- InChIKey
- SEGCNGONCZQFDW-UHFFFAOYSA-N
- FDA UNII
- 5 U7IO9CV80 · 5U7IO9CV80
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesRelaxant (skeletal muscle).
Upstream & downstream products
Upstream raw materials
Suppliers21 total
InvivoChem中国13549236410 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
无锡捷化医药科技有限公司83588313 18800520310 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
湖北恒绿源科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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