Molsidomine
- Product NameMolsidomine
- CAS25717-80-0
- CBNumberCB2234645
- MFC9H14N4O4
- MW242.23
- EINECS247-207-4
- MDL NumberMFCD00869301
- MOL File25717-80-0.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 140-141°C |
| Boiling point | 385.05°C (rough estimate) |
| Density | 1.3186 (rough estimate) |
| refractive index | 1.6300 (estimate) |
| storage temp. | Inert atmosphere,2-8°C |
| solubility | Sparingly soluble in water, soluble in anhydrous ethanol and in methylene chloride. |
| pka | pK (100°) 3.0 ± 0.1 |
| form | Solid |
| color | White to Off-White |
| λmax | 317nm(MeOH)(lit.) |
| Merck | 14,6234 |
| Major Application | pharmaceutical (small molecule) |
| InChI | InChI=1S/C9H14N4O4/c1-2-16-9(14)10-8-7-13(11-17-8)12-3-5-15-6-4-12/h7H,2-6H2,1H3/b10-8- |
| InChIKey | XLFWDASMENKTKL-NTMALXAHSA-N |
| SMILES | [N+]1([N-]O/C(=N\C(=O)OCC)/C=1)N1CCOCC1 |
| CAS DataBase Reference | 25717-80-0(CAS DataBase Reference) |
| FDA UNII | D46583G77X |
| ATC code | C01DX12 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H302 | |||||||||
| Precautionary statements | P301+P312+P330 | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 22 | |||||||||
| Safety Statements | 36 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | WU7677400 | |||||||||
| HS Code | 29349990 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Acute Tox. 4 Oral | |||||||||
| Toxicity | LD50 in male, female mice, male, female rats (mg/kg): 780, 750, 1380, 1350 s.c.; 860, 800, 830, 760 i.v.; 700, 760, 1250, 1250 i.p.; 830, 840, 1050, 1200 orally (Nakaguchi) | |||||||||
| NFPA 704: |
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