54029-12-8
| Name | Albendazole S-oxide |
| CAS | 54029-12-8 |
| EINECS(EC#) | 628-805-8 |
| Molecular Formula | C12H15N3O3S |
| MDL Number | MFCD00797922 |
| Molecular Weight | 281.33 |
| MOL File | 54029-12-8.mol |
Chemical Properties
| Appearance | White to Off-White Powder |
| Melting point | 226-228°C dec. |
| density | 1.40 |
| storage temp. | Sealed in dry,2-8°C |
| solubility | Chloroform (Slightly, Heated), Methanol (Slightly) |
| form | neat |
| pka | pKa 3.28±0.01(H2O t=25.0±0.1 I=0.1(NaCl))(Approximate); 9.93±0.01(H2O t=25.0±0.1 I=0.1(NaCl))(Approximate) |
| color | colorless or white |
| Water Solubility | 62mg/L(25 ºC) |
| Usage | A metabolite of Albendazole, an anthelmintic |
| BRN | 677664 |
| Major Application | forensics and toxicology pharmaceutical (small molecule) |
| InChI | 1S/C12H15N3O3S/c1-3-6-19(17)8-4-5-9-10(7-8)14-11(13-9)15-12(16)18-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16) |
| InChIKey | VXTGHWHFYNYFFV-UHFFFAOYSA-N |
| SMILES | CCCS(=O)c1ccc2[nH]c(NC(=O)OC)nc2c1 |
| CAS DataBase Reference | 54029-12-8(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |    GHS07,GHS08,GHS09 |
| Signal word | Warning |
| Hazard statements | H317-H361d-H373-H410 |
| Precautionary statements | P201-P202-P273-P280-P302+P352-P308+P313 |
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| RTECS | FD1080000 |
| HS Code | 29339900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Aquatic Acute 1 Aquatic Chronic 1 Repr. 2 Skin Sens. 1 STOT RE 2 Oral |
