60729-91-1
| Name | Trimethoprim Related Compound A (25 mg) (4-amino-5-(3,4,5-trimethoxybenzyl)pyrimidin-2-ol) (AS) |
| CAS | 60729-91-1 |
| Molecular Formula | C14H17N3O4 |
| MDL Number | MFCD11592695 |
| Molecular Weight | 291.3 |
| MOL File | 60729-91-1.mol |
Chemical Properties
| Melting point | >210°C (dec.) |
| density | 1.31±0.1 g/cm3(Predicted) |
| storage temp. | Hygroscopic, -20°C Freezer, Under inert atmosphere |
| solubility | DMSO (Slightly), Methanol (Slightly, Heated) |
| form | neat |
| pka | 8.77±0.10(Predicted) |
| color | Pale Yellow |
| Stability: | Hygroscopic |
| Major Application | pharmaceutical (small molecule) |
| InChI | 1S/C14H17N3O4/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-16-14(18)17-13(9)15/h5-7H,4H2,1-3H3,(H3,15,16,17,18) |
| InChIKey | OYDLMYVTTNXWRD-UHFFFAOYSA-N |
| SMILES | [nH]1[c](ncc(c1N)Cc2cc(c(c(c2)OC)OC)OC)=O |
Safety Data
| Symbol(GHS) |   GHS06,GHS08 |
| Signal word | Danger |
| Hazard statements | H301-H361d |
| Precautionary statements | P202-P264-P270-P280-P301+P310-P405 |
| WGK Germany | WGK 3 |
| HS Code | 2933599550 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral Repr. 2 |