PRODUCT Properties
| Melting point: | 230-231°C |
| Boiling point: | 756.9±70.0 °C(Predicted) |
| Density | 2.18 |
| refractive index | 1.6460 (estimate) |
| storage temp. | Keep in dark place,Sealed in dry,Store in freezer, under -20°C |
| solubility | DMF: 2 mg/ml DMSO: 5 mg/ml |
| form | Solid |
| pka | 13.21±0.70(Predicted) |
| color | Off-white to light yellow |
| InChI | InChI=1S/C10H13N5O4S/c11-10-13-7-4(8(20)14-10)12-2-15(7)9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,20)/t3-,5-,6-,9-/m1/s1 |
| InChIKey | OTDJAMXESTUWLO-UUOKFMHZSA-N |
| SMILES | OC[C@H]1O[C@@H](N2C3=C(C(NC(=N3)N)=S)N=C2)[C@H](O)[C@@H]1O |
| CAS DataBase Reference | 85-31-4(CAS DataBase Reference) |
Description and Uses
antineoplastic
Safety
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |
| Safety Statements | 24/25 |
| RTECS | UP0200000 |
| HS Code | 29349990 |
| Toxicity | LD50 intraperitoneal in mouse: 156mg/kg |
