Basic information
- CAS
52279-59-1- Standard SMILES
Cn1c([N+](=O)[O-])cnc1C=NN1CC(CN2CCOCC2)OC1=O- InChIKey
RILWUTQZRXWBOB-UHFFFAOYSA-N- Molecular formula
- C13H18N6O5
- Average molar mass
- 338.32 g/mol
- Monoisotopic mass
- 338.1338677
Names & identifiers
- Preferred name
- 3-[(1-Methyl-5-nitroimidazol-2-yl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one
- IUPAC
- 3-[(1-methyl-5-nitroimidazol-2-yl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one
- English name
- Moxnidazole
- Molecular formula
- C13H18N6O5
- Molecular weight
- 338.32
Names & synonyms
DTXSID40866248orb18191543-{[(1-methyl-5-nitro-1H-imidazol-2-yl)methylidene]amino}-5-[(morpholin-4-yl)methyl]-1,3-oxazolidin-2-oneSH-240MOXNIDAZOLNSC 300583Moxnidazole3-[[(1-Methyl-5-nitro-1H-imidazol-2-yl)methylene]amino]-5-(morpholinomethyl)-2-oxazolidinone2-Oxazolidinone, 3-[[(1-methyl-5-nitro-1H-imidazol-2-yl)methylene]amino]-5-(4-morpholinylmethyl)-
Database identifiers
- CAS
52279-59-1- PubChem CID
- 65446
- DTXSID
DTXSID40866248
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 506
Physicochemical properties
- Boiling point
- 527.87 · 527.870±53.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.589 · 1.589±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.186 · 6.186±0.10(predicted)
- FDA UNII
- 9 J21260BCQ · 9J21260BCQ
Chemistry & industry
Applications
UsesAntiprotozoal (Trichomonas).
Suppliers4 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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